3-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-[(4-methylphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(4-methylphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(p-tolylthio)-N-[2-(2-thienyl)ethyl]propionamide Formula: C24H24N2O3S4 MolecularWeight: 516.71896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCC2=CC=CS2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C24H24N2O3S4/c1-17-5-7-19(8-6-17)31-15-12-23(27)26(13-11-18-4-3-14-30-18)24-25-21-10-9-20(33(2,28)29)16-22(21)32-24/h3-10,14,16H,11-13,15H2,1-2H3