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

Systemtic Name: methyl 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-heptoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-3-4-5-6-7-16-29-20-14-10-17(11-15-20)21(26)25-23(30)24-19-12-8-18(9-13-19)22(27)28-2/h8-15H,3-7,16H2,1-2H3,(H2,24,25,26,30)