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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-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-(1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C25H23N5O2S3 MolecularWeight: 521.67742

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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)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N5O2S3/c1-2-14-33-23-17(6-5-11-26-23)24(32)30-12-9-16(10-13-30)22-27-19(15-34-22)21(31)29-25-28-18-7-3-4-8-20(18)35-25/h2-8,11,15-16H,1,9-10,12-14H2,(H,28,29,31)