1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea CAS Name: 1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea Traditional Name: 1-benzyl-1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-(1-phenylethyl)thiourea Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3OS/c1-19-10-9-15-23-16-24(26(31)29-25(19)23)18-30(17-21-11-5-3-6-12-21)27(32)28-20(2)22-13-7-4-8-14-22/h3-16,20H,17-18H2,1-2H3,(H,28,32)(H,29,31)