N-[1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-3-pyridin-2-ylsulfanyl-propan-2-yl]-1H-indole-6-carboxamide hydrochloride

Systemtic Name: N-[1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxidanylidene-3-pyridin-2-ylsulfanyl-propan-2-yl]-1H-indole-6-carboxamide hydrochloride Openeye Name: N-[2-[4-(1-methyl-4-piperidyl)-1-piperidyl]-2-oxo-1-(2-pyridylsulfanylmethyl)ethyl]-1H-indole-6-carboxamide hydrochloride CAS Name: N-[1-[4-(1-methyl-4-piperidinyl)-1-piperidinyl]-1-oxo-3-(2-pyridinylthio)propan-2-yl]-1H-indole-6-carboxamide hydrochloride IUPAC Name: N-[1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxo-3-pyridin-2-ylsulfanylpropan-2-yl]-1H-indole-6-carboxamide hydrochloride Traditional Name: N-[2-keto-2-[4-(1-methyl-4-piperidyl)piperidino]-1-[(2-pyridylthio)methyl]ethyl]-1H-indole-6-carboxamide hydrochloride Formula: C28H36ClN5O2S MolecularWeight: 542.13574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CSC3=CC=CC=N3)NC(=O)C4=CC5=C(C=C4)C=CN5.Cl

Isomeric SMILES

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CSC3=CC=CC=N3)NC(=O)C4=CC5=C(C=C4)C=CN5.Cl

InChI

InChI=1S/C28H35N5O2S.ClH/c1-32-14-8-20(9-15-32)21-10-16-33(17-11-21)28(35)25(19-36-26-4-2-3-12-30-26)31-27(34)23-6-5-22-7-13-29-24(22)18-23;/h2-7,12-13,18,20-21,25,29H,8-11,14-17,19H2,1H3,(H,31,34);1H