N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)-N-(2-pyrazol-1-ylethyl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]-N-[2-(1-pyrazolyl)ethyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(p-tolylthio)-N-(2-pyrazol-1-ylethyl)butyramide Formula: C23H24N4OS2 MolecularWeight: 436.59286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)N(CCN2C=CC=N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N4OS2/c1-18-9-11-19(12-10-18)29-17-4-8-22(28)27(16-15-26-14-5-13-24-26)23-25-20-6-2-3-7-21(20)30-23/h2-3,5-7,9-14H,4,8,15-17H2,1H3