N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C23H24N4O2S2 MolecularWeight: 452.59226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCSC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(=CC(=N3)C)NC(=O)CCSC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C23H24N4O2S2/c1-14-11-15(2)22-19(12-14)31-23(25-22)27-20(13-16(3)26-27)24-21(28)9-10-30-18-7-5-17(29-4)6-8-18/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)