ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[(4-carbethoxyphenyl)thiocarbamoyl]piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C24H28N4O4S2/c1-3-31-21(29)17-5-9-19(10-6-17)25-23(33)27-13-15-28(16-14-27)24(34)26-20-11-7-18(8-12-20)22(30)32-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,25,33)(H,26,34)