S-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-prop-1-enyl] benzenecarbothioate

Systemtic Name: S-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxidanylidene-prop-1-enyl] benzenecarbothioate Openeye Name: S-[(E)-3-(2-morpholinoethylamino)-3-oxo-prop-1-enyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(E)-3-[2-(4-morpholinyl)ethylamino]-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-enyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(E)-3-keto-3-(2-morpholinoethylamino)prop-1-enyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C=CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1COCCN1CCNC(=O)/C=C/SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c19-15(17-7-8-18-9-11-21-12-10-18)6-13-22-16(20)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,17,19)/b13-6+