3-bromanyl-4-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]benzamide CAS Name: N-[[[anilino(sulfanylidene)methyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: 3-bromo-4-methoxy-N-[(phenylcarbamothioylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(phenylthiocarbamoylamino)thiocarbamoyl]benzamide Formula: C16H15BrN4O2S2 MolecularWeight: 439.3499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=S)NC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=S)NC2=CC=CC=C2)Br

InChI

InChI=1S/C16H15BrN4O2S2/c1-23-13-8-7-10(9-12(13)17)14(22)19-16(25)21-20-15(24)18-11-5-3-2-4-6-11/h2-9H,1H3,(H2,18,20,24)(H2,19,21,22,25)