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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)propionamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S3/c1-25(21,22)13-7-8-14-15(11-13)24-17(18-14)19-16(20)9-10-23-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19,20)