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

Systemtic Name: 3-chloranyl-6-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]benzothiophene-2-carboxamide CAS Name: N-[[[anilino(sulfanylidene)methyl]hydrazo]-sulfanylidenemethyl]-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(phenylthiocarbamoylamino)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C18H15ClN4O2S3 MolecularWeight: 450.9853

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=S)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NNC(=S)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H15ClN4O2S3/c1-25-11-7-8-12-13(9-11)28-15(14(12)19)16(24)21-18(27)23-22-17(26)20-10-5-3-2-4-6-10/h2-9H,1H3,(H2,20,22,26)(H2,21,23,24,27)