3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(4-methoxyphenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C25H24N2O4S3 MolecularWeight: 512.66406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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