4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide

Systemtic Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide Openeye Name: N-[(E)-cinnamyl]-4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 4-(3,4-dichlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide Traditional Name: N-[(E)-cinnamyl]-4-(3,4-dichlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxamide Formula: C22H21Cl2N3OS MolecularWeight: 446.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(N=C(N1)SC)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H21Cl2N3OS/c1-14-19(21(28)25-12-6-9-15-7-4-3-5-8-15)20(27-22(26-14)29-2)16-10-11-17(23)18(24)13-16/h3-11,13,20H,12H2,1-2H3,(H,25,28)(H,26,27)/b9-6+