1-cyclopentyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-cyclopentyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-cyclopentyl-3-isobutyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-cyclopentyl-3-isobutyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCC3

Isomeric SMILES

CC(C)CNC(=S)N(CC1=CC2=C(C=C(C=C2)OC)NC1=O)C3CCCC3

InChI

InChI=1S/C21H29N3O2S/c1-14(2)12-22-21(27)24(17-6-4-5-7-17)13-16-10-15-8-9-18(26-3)11-19(15)23-20(16)25/h8-11,14,17H,4-7,12-13H2,1-3H3,(H,22,27)(H,23,25)