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

Systemtic Name: [3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-thiophen-3-yl-quinolin-4-yl] N-(1-cyclohexylethyl)carbamate Openeye Name: [3-[(3-oxopiperazin-1-yl)methyl]-2-(3-thienyl)-4-quinolyl] N-(1-cyclohexylethyl)carbamate CAS Name: N-(1-cyclohexylethyl)carbamic acid [3-[(3-oxo-1-piperazinyl)methyl]-2-(3-thiophenyl)-4-quinolinyl] ester IUPAC Name: [3-[(3-oxopiperazin-1-yl)methyl]-2-thiophen-3-ylquinolin-4-yl] N-(1-cyclohexylethyl)carbamate Traditional Name: N-(1-cyclohexylethyl)carbamic acid [3-[(3-ketopiperazino)methyl]-2-(3-thienyl)-4-quinolyl] ester Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CSC=C4)CN5CCNC(=O)C5

Isomeric SMILES

CC(C1CCCCC1)NC(=O)OC2=C(C(=NC3=CC=CC=C32)C4=CSC=C4)CN5CCNC(=O)C5

InChI

InChI=1S/C27H32N4O3S/c1-18(19-7-3-2-4-8-19)29-27(33)34-26-21-9-5-6-10-23(21)30-25(20-11-14-35-17-20)22(26)15-31-13-12-28-24(32)16-31/h5-6,9-11,14,17-19H,2-4,7-8,12-13,15-16H2,1H3,(H,28,32)(H,29,33)