ethyl 4-[(5-bromanyl-2-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromo-2-hexoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-hexoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-hexoxy-benzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C23H27BrN2O4S MolecularWeight: 507.44048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H27BrN2O4S/c1-3-5-6-7-14-30-20-13-10-17(24)15-19(20)21(27)26-23(31)25-18-11-8-16(9-12-18)22(28)29-4-2/h8-13,15H,3-7,14H2,1-2H3,(H2,25,26,27,31)