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

Systemtic Name: [3-[[3-oxidanylidene-4-(3-oxidanylpropyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [3-[[4-(3-hydroxypropyl)-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(3-hydroxypropyl)-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinyl] ester IUPAC Name: [3-[[4-(3-hydroxypropyl)-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [3-[[4-(3-hydroxypropyl)-3-keto-piperazino]methyl]-2-(2-thienyl)-4-quinolyl] ester Formula: C30H38N4O4S MolecularWeight: 550.71212

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O4S/c1-21(22-9-3-2-4-10-22)31-30(37)38-29-23-11-5-6-12-25(23)32-28(26-13-7-18-39-26)24(29)19-33-15-16-34(14-8-17-35)27(36)20-33/h5-7,11-13,18,21-22,35H,2-4,8-10,14-17,19-20H2,1H3,(H,31,37)