1-cyclopentyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-cyclopentyl-1-[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3OS/c1-18-12-13-21-16-22(25(30)28-24(21)19(18)2)17-29(23-10-6-7-11-23)26(31)27-15-14-20-8-4-3-5-9-20/h3-5,8-9,12-13,16,23H,6-7,10-11,14-15,17H2,1-2H3,(H,27,31)(H,28,30)