ethyl (E)-2-[(4-ethoxyphenyl)carbamothioyl]-3-(propylamino)but-2-enoate

Systemtic Name: ethyl (E)-2-[(4-ethoxyphenyl)carbamothioyl]-3-(propylamino)but-2-enoate Openeye Name: ethyl (E)-2-[(4-ethoxyphenyl)carbamothioyl]-3-(propylamino)but-2-enoate CAS Name: (E)-2-[(4-ethoxyanilino)-sulfanylidenemethyl]-3-(propylamino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[(4-ethoxyphenyl)carbamothioyl]-3-(propylamino)but-2-enoate Traditional Name: (E)-2-(p-phenetylthiocarbamoyl)-3-(propylamino)but-2-enoic acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h8-11,19H,5-7,12H2,1-4H3,(H,20,24)/b16-13-