N-(1-benzothiophen-3-ylmethyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(benzothiophen-3-ylmethyl)thiazole-4-carboxamide CAS Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(benzothiophen-3-ylmethyl)thiazole-4-carboxamide Formula: C27H26N4O2S3 MolecularWeight: 534.71594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CSC5=CC=CC=C54

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H26N4O2S3/c1-2-14-34-26-21(7-5-11-28-26)27(33)31-12-9-18(10-13-31)25-30-22(17-36-25)24(32)29-15-19-16-35-23-8-4-3-6-20(19)23/h2-8,11,16-18H,1,9-10,12-15H2,(H,29,32)