1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-cyclopentyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H29N3O3S/c1-30-22-13-18-12-19(24(29)27-21(18)14-23(22)31-2)16-28(20-10-6-7-11-20)25(32)26-15-17-8-4-3-5-9-17/h3-5,8-9,12-14,20H,6-7,10-11,15-16H2,1-2H3,(H,26,32)(H,27,29)