ethyl 4-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-butan-2-yloxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-sec-butoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-butan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-butan-2-yloxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-sec-butoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H24N2O4S/c1-4-14(3)27-18-12-8-15(9-13-18)19(24)23-21(28)22-17-10-6-16(7-11-17)20(25)26-5-2/h6-14H,4-5H2,1-3H3,(H2,22,23,24,28)