N-[[3-(4-bromophenyl)sulfanylpropanoylamino]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[3-(4-bromophenyl)sulfanylpropanoylamino]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[3-(4-bromophenyl)sulfanylpropanoylamino]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[3-[(4-bromophenyl)thio]-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[3-(4-bromophenyl)sulfanylpropanoylamino]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[3-[(4-bromophenyl)thio]propanoylamino]thiocarbamoyl]-3-methoxy-benzamide Formula: C18H18BrN3O3S2 MolecularWeight: 468.38782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCSC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCSC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrN3O3S2/c1-25-14-4-2-3-12(11-14)17(24)20-18(26)22-21-16(23)9-10-27-15-7-5-13(19)6-8-15/h2-8,11H,9-10H2,1H3,(H,21,23)(H2,20,22,24,26)