methyl 3-[[4-[(3-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 3-[[4-[(3-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 3-[[4-[(3-methoxycarbonylphenyl)carbamothioyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 3-[[[4-[(3-methoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3-methoxycarbonylphenyl)carbamothioyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[[4-[(3-carbomethoxyphenyl)thiocarbamoyl]piperazine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H24N4O4S2/c1-29-19(27)15-5-3-7-17(13-15)23-21(31)25-9-11-26(12-10-25)22(32)24-18-8-4-6-16(14-18)20(28)30-2/h3-8,13-14H,9-12H2,1-2H3,(H,23,31)(H,24,32)