methyl 2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(4-pentoxybenzoyl)carbamothioylamino]benzoate CAS Name: 2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-pentoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-3-4-7-14-27-16-12-10-15(11-13-16)19(24)23-21(28)22-18-9-6-5-8-17(18)20(25)26-2/h5-6,8-13H,3-4,7,14H2,1-2H3,(H2,22,23,24,28)