N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-isopropylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-(propan-2-ylthio)-N-[2-(1-pyrazolyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanyl-N-(2-pyrazol-1-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(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=C(C=C1)C(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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