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

Systemtic Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,6-bis(chloranyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,6-dichloro-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[3-(butanoylamino)phenyl]carbamothioyl]-3,6-dichloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-butyramidophenyl)thiocarbamoyl]-3,6-dichloro-benzothiophene-2-carboxamide Formula: C20H17Cl2N3O2S2 MolecularWeight: 466.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O2S2/c1-2-4-16(26)23-12-5-3-6-13(10-12)24-20(28)25-19(27)18-17(22)14-8-7-11(21)9-15(14)29-18/h3,5-10H,2,4H2,1H3,(H,23,26)(H2,24,25,27,28)