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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-[2-(dimethylamino)-2-oxo-ethyl]-2-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[2-(dimethylamino)-2-oxoethyl]-2-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[4-[2-(dimethylamino)-2-keto-ethyl]-2-keto-piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C31H39N5O3S MolecularWeight: 561.73806

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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(CC5=O)CC(=O)N(C)C

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(CC5=O)CC(=O)N(C)C

InChI

InChI=1S/C31H39N5O3S/c1-21(22-10-5-4-6-11-22)32-31(39)29-23-12-7-8-13-25(23)33-30(26-14-9-17-40-26)24(29)18-36-16-15-35(20-28(36)38)19-27(37)34(2)3/h7-9,12-14,17,21-22H,4-6,10-11,15-16,18-20H2,1-3H3,(H,32,39)