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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C27H36BrN3O4S MolecularWeight: 578.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrN3O4S/c1-3-5-7-9-17-34-22-14-11-20(12-15-22)26(33)30-31-27(36)29-25(32)21-13-16-24(23(28)19-21)35-18-10-8-6-4-2/h11-16,19H,3-10,17-18H2,1-2H3,(H,30,33)(H2,29,31,32,36)