1-cyclohexyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(C3CCCCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3OS/c1-19-9-8-12-21-17-22(25(30)28-24(19)21)18-29(23-13-6-3-7-14-23)26(31)27-16-15-20-10-4-2-5-11-20/h2,4-5,8-12,17,23H,3,6-7,13-16,18H2,1H3,(H,27,31)(H,28,30)