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

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(1-piperidyl)-1-piperidyl]methyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-3-[(4-piperidinopiperidino)methyl]-2-(2-thienyl)cinchoninamide Formula: C33H44N4OS MolecularWeight: 544.79366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCC(CC5)N6CCCCC6

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CS4)CN5CCC(CC5)N6CCCCC6

InChI

InChI=1S/C33H44N4OS/c1-24(25-11-4-2-5-12-25)34-33(38)31-27-13-6-7-14-29(27)35-32(30-15-10-22-39-30)28(31)23-36-20-16-26(17-21-36)37-18-8-3-9-19-37/h6-7,10,13-15,22,24-26H,2-5,8-9,11-12,16-21,23H2,1H3,(H,34,38)/t24-/m0/s1