methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamothioyl]pyrazolidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamothioyl]pyrazolidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamothioyl]pyrazolidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[2-[(2-methoxycarbonylanilino)-sulfanylidenemethyl]-1-pyrazolidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-methoxycarbonylphenyl)carbamothioyl]pyrazolidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[2-[(2-carbomethoxyphenyl)thiocarbamoyl]pyrazolidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCCN2C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCCN2C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H22N4O4S2/c1-28-18(26)14-8-3-5-10-16(14)22-20(30)24-12-7-13-25(24)21(31)23-17-11-6-4-9-15(17)19(27)29-2/h3-6,8-11H,7,12-13H2,1-2H3,(H,22,30)(H,23,31)