5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-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=C(C=CC(=C2)Br)OC

Isomeric SMILES

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

InChI

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