1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea Formula: C27H34N4O2S MolecularWeight: 478.64946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C27H34N4O2S/c1-20-15-23-17-24(26(32)29-25(23)16-21(20)2)19-31(10-6-9-30-11-13-33-14-12-30)27(34)28-18-22-7-4-3-5-8-22/h3-5,7-8,15-17H,6,9-14,18-19H2,1-2H3,(H,28,34)(H,29,32)