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

Systemtic Name: propyl 4-[(4-heptoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-heptoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-heptoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-3-5-6-7-8-18-30-22-15-11-19(12-16-22)23(28)27-25(32)26-21-13-9-20(10-14-21)24(29)31-17-4-2/h9-16H,3-8,17-18H2,1-2H3,(H2,26,27,28,32)