N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonyl)-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-(benzenesulfonyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-besyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C23H22N2O3S4 MolecularWeight: 502.69238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCC3=CC=CS3)C(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S4/c1-29-19-10-5-11-20-22(19)24-23(31-20)25(14-12-17-7-6-15-30-17)21(26)13-16-32(27,28)18-8-3-2-4-9-18/h2-11,15H,12-14,16H2,1H3