3-[[4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-N-(1-cyclohexylethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]methyl]-N-(1-cyclohexylethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: 3-[[4-(2-amino-2-oxo-ethyl)-3-oxo-piperazin-1-yl]methyl]-N-(1-cyclohexylethyl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: 3-[[4-(2-amino-2-oxoethyl)-3-oxo-1-piperazinyl]methyl]-N-(1-cyclohexylethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: 3-[[4-(2-amino-2-oxoethyl)-3-oxopiperazin-1-yl]methyl]-N-(1-cyclohexylethyl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: 3-[[4-(2-amino-2-keto-ethyl)-3-keto-piperazino]methyl]-N-(1-cyclohexylethyl)-2-(2-thienyl)cinchoninamide Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N

InChI

InChI=1S/C29H35N5O3S/c1-19(20-8-3-2-4-9-20)31-29(37)27-21-10-5-6-11-23(21)32-28(24-12-7-15-38-24)22(27)16-33-13-14-34(17-25(30)35)26(36)18-33/h5-7,10-12,15,19-20H,2-4,8-9,13-14,16-18H2,1H3,(H2,30,35)(H,31,37)