cyclohexyl 4-[(3-butoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: cyclohexyl 4-[(3-butoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: cyclohexyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-butoxybenzoyl)thiocarbamoylamino]benzoic acid cyclohexyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC3CCCCC3

InChI

InChI=1S/C25H30N2O4S/c1-2-3-16-30-22-11-7-8-19(17-22)23(28)27-25(32)26-20-14-12-18(13-15-20)24(29)31-21-9-5-4-6-10-21/h7-8,11-15,17,21H,2-6,9-10,16H2,1H3,(H2,26,27,28,32)