1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(phenylmethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-isobutyl-thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-benzyl-3-isobutyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CC=C3)C(=S)NCC(C)C)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CC=C3)C(=S)NCC(C)C)C

InChI

InChI=1S/C24H29N3OS/c1-16(2)13-25-24(29)27(14-19-8-6-5-7-9-19)15-20-12-21-18(4)10-17(3)11-22(21)26-23(20)28/h5-12,16H,13-15H2,1-4H3,(H,25,29)(H,26,28)