N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-phenylsulfanyl-propanamide Openeye Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-3-(phenylthio)propanamide IUPAC Name: N-benzyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-benzyl-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S3/c1-32(28,29)20-12-13-21-22(16-20)31-24(25-21)26(17-18-8-4-2-5-9-18)23(27)14-15-30-19-10-6-3-7-11-19/h2-13,16H,14-15,17H2,1H3