[3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate

Systemtic Name: [3-[[4-(2-hydroxyethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [3-[[4-(2-hydroxyethyl)-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(2-hydroxyethyl)-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinyl] ester IUPAC Name: [3-[[4-(2-hydroxyethyl)-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(2-hydroxyethyl)-3-keto-piperazino]methyl]-2-(2-thienyl)-4-quinolyl] ester Formula: C29H36N4O4S MolecularWeight: 536.68554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CCO

Isomeric SMILES

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CCO

InChI

InChI=1S/C29H36N4O4S/c1-20(21-8-3-2-4-9-21)30-29(36)37-28-22-10-5-6-11-24(22)31-27(25-12-7-17-38-25)23(28)18-32-13-14-33(15-16-34)26(35)19-32/h5-7,10-12,17,20-21,34H,2-4,8-9,13-16,18-19H2,1H3,(H,30,36)