4-(4-methoxyphenyl)-N-(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(4-methoxyphenyl)-N-(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 6-isopropyl-4-(4-methoxyphenyl)-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-(3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 6-isopropyl-4-(4-methoxyphenyl)-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-12(2)18-17(20(26)22-14-5-4-6-15(11-14)25(27)28)19(24-21(30)23-18)13-7-9-16(29-3)10-8-13/h4-12,19H,1-3H3,(H,22,26)(H2,23,24,30)