N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-isopropylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(propan-2-ylthio)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(isopropylthio)-N-(2-pyrazol-1-ylethyl)benzamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC(=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)SC1=CC=CC(=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4OS2/c1-16(2)28-18-8-5-7-17(15-18)21(27)26(14-13-25-12-6-11-23-25)22-24-19-9-3-4-10-20(19)29-22/h3-12,15-16H,13-14H2,1-2H3