3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-methoxyphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-(4-methoxyphenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C25H24N2O4S3 MolecularWeight: 512.66406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H24N2O4S3/c1-31-19-11-13-20(14-12-19)34(29,30)16-15-23(28)27(17-18-7-4-3-5-8-18)25-26-24-21(32-2)9-6-10-22(24)33-25/h3-14H,15-17H2,1-2H3