3-chloranyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClN3O2S2/c1-21-15(24)10-11-6-8-12(9-7-11)22-19(26)23-18(25)17-16(20)13-4-2-3-5-14(13)27-17/h2-9H,10H2,1H3,(H,21,24)(H2,22,23,25,26)