3-chloranyl-N-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H19ClN2O2S2/c21-18-15-8-4-5-9-16(15)27-19(18)20(25)23-12-17(24)22-10-11-26-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,24)(H,23,25)