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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-[2-(2-thienyl)ethyl]propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylsulfanyl-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-3-(phenylthio)-N-[2-(2-thienyl)ethyl]propionamide Formula: C23H22N2O3S4 MolecularWeight: 502.69238

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CCC3=CC=CS3)C(=O)CCSC4=CC=CC=C4

InChI

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