1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea CAS Name: 1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea Traditional Name: 1-benzyl-1-[(2-keto-6,7-dimethyl-1H-quinolin-3-yl)methyl]-3-[(1R)-1-phenylethyl]thiourea Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)N[C@H](C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3OS/c1-19-14-24-16-25(27(32)30-26(24)15-20(19)2)18-31(17-22-10-6-4-7-11-22)28(33)29-21(3)23-12-8-5-9-13-23/h4-16,21H,17-18H2,1-3H3,(H,29,33)(H,30,32)/t21-/m1/s1