N-(3-butylsulfanylpropyl)-1-[5-(2-methylindol-1-yl)thiophen-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-1-[5-(2-methylindol-1-yl)thiophen-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide CAS Name: N-[3-(butylthio)propyl]-1-[[5-(2-methyl-1-indolyl)-2-thiophenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-[3-(butylthio)propyl]-1-[5-(2-methylindol-1-yl)thiophene-2-carbonyl]isonipecotamide Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(S2)N3C(=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCSCCCNC(=O)C1CCN(CC1)C(=O)C2=CC=C(S2)N3C(=CC4=CC=CC=C43)C

InChI

InChI=1S/C27H35N3O2S2/c1-3-4-17-33-18-7-14-28-26(31)21-12-15-29(16-13-21)27(32)24-10-11-25(34-24)30-20(2)19-22-8-5-6-9-23(22)30/h5-6,8-11,19,21H,3-4,7,12-18H2,1-2H3,(H,28,31)