N-[(carbamothioylamino)carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(carbamothioylamino)carbamothioyl]-3-chloranyl-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[(carbamothioylamino)carbamothioyl]-3-chloro-6-methoxy-benzothiophene-2-carboxamide CAS Name: N-[(carbamothioylhydrazo)-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[(carbamothioylamino)carbamothioyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-(thioureidothiocarbamoyl)benzothiophene-2-carboxamide Formula: C12H11ClN4O2S3 MolecularWeight: 374.88934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=S)N)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=S)N)Cl

InChI

InChI=1S/C12H11ClN4O2S3/c1-19-5-2-3-6-7(4-5)22-9(8(6)13)10(18)15-12(21)17-16-11(14)20/h2-4H,1H3,(H3,14,16,20)(H2,15,17,18,21)