1-cyclopentyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-cyclopentyl-1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H31N3OS MolecularWeight: 433.60884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

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