4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 4-[(E)-3-[[2-[[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-N-(2-thienylmethyl)benzamide CAS Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolinyl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methyl-8-quinolyl)oxymethyl]anilino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-(2-thenyl)benzamide Formula: C35H30Cl2N4O4S MolecularWeight: 673.6081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)C=CC4=CC=C(C=C4)C(=O)NCC5=CC=CS5)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)N(C)C(=O)CNC(=O)/C=C/C4=CC=C(C=C4)C(=O)NCC5=CC=CS5)Cl)C=C1

InChI

InChI=1S/C35H30Cl2N4O4S/c1-22-8-12-24-5-3-7-30(34(24)40-22)45-21-27-28(36)15-16-29(33(27)37)41(2)32(43)20-38-31(42)17-11-23-9-13-25(14-10-23)35(44)39-19-26-6-4-18-46-26/h3-18H,19-21H2,1-2H3,(H,38,42)(H,39,44)/b17-11+