ethyl 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-heptoxybenzoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C24H30N2O4S/c1-3-5-6-7-8-17-30-21-15-11-18(12-16-21)22(27)26-24(31)25-20-13-9-19(10-14-20)23(28)29-4-2/h9-16H,3-8,17H2,1-2H3,(H2,25,26,27,31)