3-chloranyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C20H17ClN4O2S3 MolecularWeight: 477.02258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H17ClN4O2S3/c1-2-15(26)24-19(28)22-11-7-9-12(10-8-11)23-20(29)25-18(27)17-16(21)13-5-3-4-6-14(13)30-17/h3-10H,2H2,1H3,(H2,22,24,26,28)(H2,23,25,27,29)