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

Systemtic Name: N-(1-cyclohexylethyl)-3-[[3-oxidanylidene-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(1-cyclohexylethyl)-3-[[3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(1-cyclohexylethyl)-3-[[3-keto-4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]-2-(2-thienyl)cinchoninamide Formula: C33H41N5O3S MolecularWeight: 587.77534

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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)N6CCCC6

Isomeric SMILES

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCN(C(=O)C5)CC(=O)N6CCCC6

InChI

InChI=1S/C33H41N5O3S/c1-23(24-10-3-2-4-11-24)34-33(41)31-25-12-5-6-13-27(25)35-32(28-14-9-19-42-28)26(31)20-36-17-18-38(29(39)21-36)22-30(40)37-15-7-8-16-37/h5-6,9,12-14,19,23-24H,2-4,7-8,10-11,15-18,20-22H2,1H3,(H,34,41)