ethyl (E)-2-morpholin-4-ylcarbonyl-3-(phenylcarbamothioylamino)prop-2-enoate

Systemtic Name: ethyl (E)-2-morpholin-4-ylcarbonyl-3-(phenylcarbamothioylamino)prop-2-enoate Openeye Name: ethyl (E)-2-(morpholine-4-carbonyl)-3-(phenylcarbamothioylamino)prop-2-enoate CAS Name: (E)-3-[[anilino(sulfanylidene)methyl]amino]-2-[4-morpholinyl(oxo)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-(morpholine-4-carbonyl)-3-(phenylcarbamothioylamino)prop-2-enoate Traditional Name: (E)-2-(morpholine-4-carbonyl)-3-(phenylthiocarbamoylamino)acrylic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=CC=C1)C(=O)N2CCOCC2

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)NC1=CC=CC=C1)/C(=O)N2CCOCC2

InChI

InChI=1S/C17H21N3O4S/c1-2-24-16(22)14(15(21)20-8-10-23-11-9-20)12-18-17(25)19-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,18,19,25)/b14-12+