3,5-bis(bromanyl)-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[(4-propoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[oxo-(4-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[(4-propoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[(4-propoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C18H16Br2N2O4S MolecularWeight: 516.20364

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)Br)Br

InChI

InChI=1S/C18H16Br2N2O4S/c1-2-7-26-12-5-3-10(4-6-12)16(23)22-18(27)21-15-13(17(24)25)8-11(19)9-14(15)20/h3-6,8-9H,2,7H2,1H3,(H,24,25)(H2,21,22,23,27)