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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]propionamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

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