N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxo-1-piperazinyl)methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-oxopiperazin-1-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(3-ketopiperazino)methyl]-2-(2-thienyl)cinchoninamide Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCNC(=O)C5

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCNC(=O)C5

InChI

InChI=1S/C27H32N4O2S/c1-18(19-8-3-2-4-9-19)29-27(33)25-20-10-5-6-11-22(20)30-26(23-12-7-15-34-23)21(25)16-31-14-13-28-24(32)17-31/h5-7,10-12,15,18-19H,2-4,8-9,13-14,16-17H2,1H3,(H,28,32)(H,29,33)/t18-/m0/s1