N-[(4-chlorophenyl)methyl]-6-(morpholin-2-ylmethyl)-4-oxidanylidene-1-(phenylsulfanylmethyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-2-ylmethyl)-4-oxidanylidene-1-(phenylsulfanylmethyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-2-ylmethyl)-4-oxo-1-(phenylsulfanylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(2-morpholinylmethyl)-4-oxo-1-[(phenylthio)methyl]-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-2-ylmethyl)-4-oxo-1-(phenylsulfanylmethyl)quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-6-(morpholin-2-ylmethyl)-1-[(phenylthio)methyl]quinoline-3-carboxamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CSC5=CC=CC=C5

Isomeric SMILES

C1COC(CN1)CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CSC5=CC=CC=C5

InChI

InChI=1S/C29H28ClN3O3S/c30-22-9-6-20(7-10-22)16-32-29(35)26-18-33(19-37-24-4-2-1-3-5-24)27-11-8-21(15-25(27)28(26)34)14-23-17-31-12-13-36-23/h1-11,15,18,23,31H,12-14,16-17,19H2,(H,32,35)