ethyl 4-[2-[(4-ethoxycarbonylphenyl)carbamothioylamino]ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-ethoxycarbonylphenyl)carbamothioylamino]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-[(4-ethoxycarbonylphenyl)carbamothioylamino]ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethoxycarbonylphenyl)carbamothioylamino]ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-[(4-carbethoxyphenyl)thiocarbamoylamino]ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCNC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H26N4O4S2/c1-3-29-19(27)15-5-9-17(10-6-15)25-21(31)23-13-14-24-22(32)26-18-11-7-16(8-12-18)20(28)30-4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,23,25,31)(H2,24,26,32)