2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]acetamide Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]acetamide Formula: C26H34N4O5S2 MolecularWeight: 546.70196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2(CCNCC2)C(=O)N3CCCN(CC3)C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C26H34N4O5S2/c1-34-20-7-6-19(17-21(20)35-2)37-18-23(31)28-26(8-10-27-11-9-26)25(33)30-13-4-12-29(14-15-30)24(32)22-5-3-16-36-22/h3,5-7,16-17,27H,4,8-15,18H2,1-2H3,(H,28,31)