N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)N(C)C)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-12-17(19(26)23-15-6-4-5-14(21)11-15)18(24-20(27)22-12)13-7-9-16(10-8-13)25(2)3/h4-11,18H,1-3H3,(H,23,26)(H2,22,24,27)