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

Systemtic Name: 3-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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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)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-3-4-5-6-13-30-17-10-7-15(8-11-17)21(28)25-26-22(31)24-20(27)16-9-12-19(29-2)18(23)14-16/h7-12,14H,3-6,13H2,1-2H3,(H,25,28)(H2,24,26,27,31)