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

Systemtic Name: 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenyl)-6-methyl-2-(methylthio)-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide IUPAC Name: 4-(3-chlorophenyl)-6-methyl-2-methylsulfanyl-N-[(E)-3-phenylprop-2-enyl]-1,4-dihydropyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenyl)-N-[(E)-cinnamyl]-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3OS/c1-15-19(21(27)24-13-7-10-16-8-4-3-5-9-16)20(26-22(25-15)28-2)17-11-6-12-18(23)14-17/h3-12,14,20H,13H2,1-2H3,(H,24,27)(H,25,26)/b10-7+