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

Systemtic Name: N-[(E)-(4-chlorophenyl)methylideneamino]-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: N-[(E)-(4-chlorophenyl)methyleneamino]-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: N-[(E)-(4-chlorophenyl)methylideneamino]-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: N-[(E)-(4-chlorophenyl)methylideneamino]-4-(4-dimethylaminophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: N-[(E)-(4-chlorobenzylidene)amino]-4-(4-dimethylaminophenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

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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)NN=CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5OS/c1-13-18(20(28)26-23-12-14-4-8-16(22)9-5-14)19(25-21(29)24-13)15-6-10-17(11-7-15)27(2)3/h4-12,19H,1-3H3,(H,26,28)(H2,24,25,29)/b23-12+