3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea

Systemtic Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-chlorophenyl)-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-(3-chlorophenyl)-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C26H24ClN3OS MolecularWeight: 462.00626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CC3=CC=CC=C3)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H24ClN3OS/c1-17-11-12-18(2)24-23(17)13-20(25(31)29-24)16-30(15-19-7-4-3-5-8-19)26(32)28-22-10-6-9-21(27)14-22/h3-14H,15-16H2,1-2H3,(H,28,32)(H,29,31)