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

Systemtic Name: 6-methyl-N-(3-nitrophenyl)-4-(2-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(2-isopropoxyphenyl)-6-methyl-N-(3-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 6-methyl-N-(3-nitrophenyl)-4-(2-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 6-methyl-N-(3-nitrophenyl)-4-(2-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(2-isopropoxyphenyl)-6-methyl-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:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2OC(C)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=CC=C2OC(C)C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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