4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(3-chloro-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(3-chloro-4-ethoxy-5-methoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(3-chloro-4-ethoxy-5-methoxyphenyl)-6-methyl-N-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(3-chloro-4-ethoxy-5-methoxy-phenyl)-6-methyl-N-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C2C(=C(NC(=S)N2)C)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C21H22ClN3O3S/c1-4-28-19-15(22)10-13(11-16(19)27-3)18-17(12(2)23-21(29)25-18)20(26)24-14-8-6-5-7-9-14/h5-11,18H,4H2,1-3H3,(H,24,26)(H2,23,25,29)