(E)-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-3-(3-chloro-5-methoxy-4-propoxy-phenyl)prop-2-enamide CAS Name: (E)-N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-3-(3-chloro-5-methoxy-4-propoxy-phenyl)acrylamide Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)NC2=CC=CC=C2SCC(=O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=CC=CC=C2SCC(=O)N)OC

InChI

InChI=1S/C21H23ClN2O4S/c1-3-10-28-21-15(22)11-14(12-17(21)27-2)8-9-20(26)24-16-6-4-5-7-18(16)29-13-19(23)25/h4-9,11-12H,3,10,13H2,1-2H3,(H2,23,25)(H,24,26)/b9-8+