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

Systemtic Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclopentyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-cyclopentyl-1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C25H29N3OS/c1-17-12-18(2)22-14-20(24(29)27-23(22)13-17)16-28(21-10-6-7-11-21)25(30)26-15-19-8-4-3-5-9-19/h3-5,8-9,12-14,21H,6-7,10-11,15-16H2,1-2H3,(H,26,30)(H,27,29)