ethyl 3-[(2-butoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2-butoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2-butoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(2-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-butoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(2-butoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C24H30N2O4S/c1-3-5-17-30-21-14-10-9-13-20(21)23(28)25-24(31)26(16-15-22(27)29-4-2)18-19-11-7-6-8-12-19/h6-14H,3-5,15-18H2,1-2H3,(H,25,28,31)