ethyl 2-[(4-ethoxyphenyl)carbamothioyl]-3-propylimino-butanoate

Systemtic Name: ethyl 2-[(4-ethoxyphenyl)carbamothioyl]-3-propylimino-butanoate Openeye Name: ethyl 2-[(4-ethoxyphenyl)carbamothioyl]-3-propylimino-butanoate CAS Name: 2-[(4-ethoxyanilino)-sulfanylidenemethyl]-3-propyliminobutanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxyphenyl)carbamothioyl]-3-propyliminobutanoate Traditional Name: 2-(p-phenetylthiocarbamoyl)-3-propylimino-butyric acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C)C(C(=S)NC1=CC=C(C=C1)OCC)C(=O)OCC

Isomeric SMILES

CCCN=C(C)C(C(=S)NC1=CC=C(C=C1)OCC)C(=O)OCC

InChI

InChI=1S/C18H26N2O3S/c1-5-12-19-13(4)16(18(21)23-7-3)17(24)20-14-8-10-15(11-9-14)22-6-2/h8-11,16H,5-7,12H2,1-4H3,(H,20,24)