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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

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