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

Systemtic Name: 1-cyclopentyl-1-[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-30-22-12-11-19-15-20(24(29)27-23(19)16-22)17-28(21-9-5-6-10-21)25(31)26-14-13-18-7-3-2-4-8-18/h2-4,7-8,11-12,15-16,21H,5-6,9-10,13-14,17H2,1H3,(H,26,31)(H,27,29)