propyl 5-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoate

Systemtic Name: propyl 5-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-2-chloranyl-benzoate Openeye Name: propyl 5-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-2-chloro-benzoate CAS Name: 5-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chlorobenzoic acid propyl ester IUPAC Name: propyl 5-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-2-chlorobenzoate Traditional Name: 5-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-2-chloro-benzoic acid propyl ester Formula: C19H18BrClN2O4S MolecularWeight: 485.77922

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)Cl

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Br)Cl

InChI

InChI=1S/C19H18BrClN2O4S/c1-3-8-27-18(25)13-10-12(5-6-15(13)21)22-19(28)23-17(24)11-4-7-16(26-2)14(20)9-11/h4-7,9-10H,3,8H2,1-2H3,(H2,22,23,24,28)