3-chloranyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-cyanoethyl-(phenylmethyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[benzyl(2-cyanoethyl)carbamothioyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[benzyl(2-cyanoethyl)thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H16ClN3OS2 MolecularWeight: 413.94354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H16ClN3OS2/c21-17-15-9-4-5-10-16(15)27-18(17)19(25)23-20(26)24(12-6-11-22)13-14-7-2-1-3-8-14/h1-5,7-10H,6,12-13H2,(H,23,25,26)