3-[[[3-[2-(3-carboxyphenyl)carbothioyl-2-methyl-hydrazinyl]-3-oxidanylidene-propanoyl]amino]-methyl-carbamothioyl]benzoic acid

Systemtic Name: 3-[[[3-[2-(3-carboxyphenyl)carbothioyl-2-methyl-hydrazinyl]-3-oxidanylidene-propanoyl]amino]-methyl-carbamothioyl]benzoic acid Openeye Name: 3-[[[3-[2-(3-carboxybenzenecarbothioyl)-2-methyl-hydrazino]-3-oxo-propanoyl]amino]-methyl-carbamothioyl]benzoic acid CAS Name: 3-[[[[3-[2-[(3-carboxyphenyl)-sulfanylidenemethyl]-2-methylhydrazinyl]-1,3-dioxopropyl]amino]-methylamino]-sulfanylidenemethyl]benzoic acid IUPAC Name: 3-[[[3-[2-(3-carboxybenzenecarbothioyl)-2-methylhydrazinyl]-3-oxopropanoyl]amino]-methylcarbamothioyl]benzoic acid Traditional Name: 3-[[[3-[N'-(3-carboxythiobenzoyl)-N'-methyl-hydrazino]-3-keto-propanoyl]amino]-methyl-thiocarbamoyl]benzoic acid Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)C1=CC(=CC=C1)C(=O)O)NC(=O)CC(=O)NN(C)C(=S)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CN(C(=S)C1=CC(=CC=C1)C(=O)O)NC(=O)CC(=O)NN(C)C(=S)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C21H20N4O6S2/c1-24(18(32)12-5-3-7-14(9-12)20(28)29)22-16(26)11-17(27)23-25(2)19(33)13-6-4-8-15(10-13)21(30)31/h3-10H,11H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)(H,30,31)