1-cyclopentyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-cyclopentyl-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Openeye Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea IUPAC Name: 1-cyclopentyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-cyclopentyl-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NCCC4=CC=CC=C4

InChI

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