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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S3/c1-24-14-7-8-15-16(11-14)25-18(19-15)20-17(21)9-10-26(22,23)12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,20,21)