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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-3-oxidanylidene-piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-3-oxo-piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxo-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[3-keto-4-[2-keto-2-(4-methylpiperazino)ethyl]piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C34H44N6O3S MolecularWeight: 616.81656

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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)N6CCN(CC6)C

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N6CCN(CC6)C

InChI

InChI=1S/C34H44N6O3S/c1-24(25-9-4-3-5-10-25)35-34(43)32-26-11-6-7-12-28(26)36-33(29-13-8-20-44-29)27(32)21-38-16-19-40(30(41)22-38)23-31(42)39-17-14-37(2)15-18-39/h6-8,11-13,20,24-25H,3-5,9-10,14-19,21-23H2,1-2H3,(H,35,43)