N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-hexoxy-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C28H29BrN4O4S/c1-2-3-4-8-17-37-24-16-13-21(18-23(24)29)26(35)31-28(38)33-32-27(36)20-11-14-22(15-12-20)30-25(34)19-9-6-5-7-10-19/h5-7,9-16,18H,2-4,8,17H2,1H3,(H,30,34)(H,32,36)(H2,31,33,35,38)