ethyl 4-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[4-[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]-1-piperazinyl]ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-ethoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-[4-[(4-carbethoxyphenyl)thiocarbamoyl]piperazino]ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C26H33N5O4S2 MolecularWeight: 543.70132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCN2CCN(CC2)C(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H33N5O4S2/c1-3-34-23(32)19-5-9-21(10-6-19)28-25(36)27-13-14-30-15-17-31(18-16-30)26(37)29-22-11-7-20(8-12-22)24(33)35-4-2/h5-12H,3-4,13-18H2,1-2H3,(H,29,37)(H2,27,28,36)