N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: N-[(5-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[(5-chloro-2-morpholino-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[5-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(5-chloro-2-morpholino-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H22ClN3O3S/c1-27-17-6-2-15(3-7-17)4-9-20(26)24-21(29)23-18-14-16(22)5-8-19(18)25-10-12-28-13-11-25/h2-9,14H,10-13H2,1H3,(H2,23,24,26,29)