3,6-bis(chloranyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[(3-propionamidophenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C19H15Cl2N3O2S2 MolecularWeight: 452.3773

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H15Cl2N3O2S2/c1-2-15(25)22-11-4-3-5-12(9-11)23-19(27)24-18(26)17-16(21)13-7-6-10(20)8-14(13)28-17/h3-9H,2H2,1H3,(H,22,25)(H2,23,24,26,27)