methyl 4-(4,4-diethoxybutylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(4,4-diethoxybutylcarbamothioylamino)benzoate Openeye Name: methyl 4-(4,4-diethoxybutylcarbamothioylamino)benzoate CAS Name: 4-[[(4,4-diethoxybutylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4,4-diethoxybutylcarbamothioylamino)benzoate Traditional Name: 4-(4,4-diethoxybutylthiocarbamoylamino)benzoic acid methyl ester Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC)OCC

Isomeric SMILES

CCOC(CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC)OCC

InChI

InChI=1S/C17H26N2O4S/c1-4-22-15(23-5-2)7-6-12-18-17(24)19-14-10-8-13(9-11-14)16(20)21-3/h8-11,15H,4-7,12H2,1-3H3,(H2,18,19,24)