2-(4-chlorophenyl)sulfanyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]pyridine-3-carboxamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-[oxo-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-4-yl]pyridine-3-carboxamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-[4-(2-thenoyl)-1,4-diazepane-1-carbonyl]-4-piperidyl]nicotinamide Formula: C28H30ClN5O3S2 MolecularWeight: 584.1525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2(CCNCC2)NC(=O)C3=C(N=CC=C3)SC4=CC=C(C=C4)Cl)C(=O)C5=CC=CS5

InChI

InChI=1S/C28H30ClN5O3S2/c29-20-6-8-21(9-7-20)39-25-22(4-1-12-31-25)24(35)32-28(10-13-30-14-11-28)27(37)34-16-3-15-33(17-18-34)26(36)23-5-2-19-38-23/h1-2,4-9,12,19,30H,3,10-11,13-18H2,(H,32,35)