propyl 4-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-bromo-4-hexoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-bromo-4-hexoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C24H29BrN2O4S MolecularWeight: 521.46706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN2O4S/c1-3-5-6-7-15-30-21-13-10-18(16-20(21)25)22(28)27-24(32)26-19-11-8-17(9-12-19)23(29)31-14-4-2/h8-13,16H,3-7,14-15H2,1-2H3,(H2,26,27,28,32)