3-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-3-tosyl-propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SC

InChI

InChI=1S/C18H18N2O3S3/c1-12-3-6-14(7-4-12)26(22,23)10-9-17(21)19-13-5-8-15-16(11-13)25-18(20-15)24-2/h3-8,11H,9-10H2,1-2H3,(H,19,21)