ethyl (E)-3-azanyl-3-morpholin-4-yl-2-[(phenylmethyl)carbamothioyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-3-morpholin-4-yl-2-[(phenylmethyl)carbamothioyl]prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-morpholino-prop-2-enoate CAS Name: (E)-3-amino-3-(4-morpholinyl)-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-morpholin-4-ylprop-2-enoate Traditional Name: (E)-3-amino-2-(benzylthiocarbamoyl)-3-morpholino-acrylic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCOCC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCOCC1)/C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S/c1-2-23-17(21)14(15(18)20-8-10-22-11-9-20)16(24)19-12-13-6-4-3-5-7-13/h3-7H,2,8-12,18H2,1H3,(H,19,24)/b15-14-