ethyl 3-[(4-heptoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(4-heptoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(4-heptoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(4-heptoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(4-heptoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C27H36N2O4S MolecularWeight: 484.65074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C27H36N2O4S/c1-3-5-6-7-11-20-33-24-16-14-23(15-17-24)26(31)28-27(34)29(19-18-25(30)32-4-2)21-22-12-9-8-10-13-22/h8-10,12-17H,3-7,11,18-21H2,1-2H3,(H,28,31,34)