3-chloranyl-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-chloro-benzothiophene-2-carboxamide Formula: C20H16ClN3O2S2 MolecularWeight: 429.94294

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H16ClN3O2S2/c1-2-11-22-18(25)12-7-3-5-9-14(12)23-20(27)24-19(26)17-16(21)13-8-4-6-10-15(13)28-17/h2-10H,1,11H2,(H,22,25)(H2,23,24,26,27)