ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioylamino]cyclohexyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioylamino]cyclohexyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioylamino]cyclohexyl]carbamothioylamino]benzoate CAS Name: 4-[[[[4-[[(4-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]cyclohexyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-ethoxycarbonylphenyl)carbamothioylamino]cyclohexyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(4-carbethoxyphenyl)thiocarbamoylamino]cyclohexyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H32N4O4S2 MolecularWeight: 528.68668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCC(CC2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCC(CC2)NC(=S)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H32N4O4S2/c1-3-33-23(31)17-5-9-19(10-6-17)27-25(35)29-21-13-15-22(16-14-21)30-26(36)28-20-11-7-18(8-12-20)24(32)34-4-2/h5-12,21-22H,3-4,13-16H2,1-2H3,(H2,27,29,35)(H2,28,30,36)