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

Systemtic Name: N-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: N-[(3-chloro-2-morpholino-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: N-[[3-chloro-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: N-[(3-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/c1-27-16-8-5-15(6-9-16)7-10-19(26)24-21(29)23-18-4-2-3-17(22)20(18)25-11-13-28-14-12-25/h2-10H,11-14H2,1H3,(H2,23,24,26,29)