(5R,6S)-N-(2-ethoxyphenyl)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (5R,6S)-N-(2-ethoxyphenyl)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5R,6S)-N-(2-ethoxyphenyl)-4-methylene-6-(3-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5R,6S)-N-(2-ethoxyphenyl)-4-methylene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5R,6S)-N-(2-ethoxyphenyl)-4-methylidene-6-(3-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5R,6S)-4-methylene-6-(3-nitrophenyl)-N-o-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2C(NC(=S)NC2=C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-3-28-16-10-5-4-9-15(16)22-19(25)17-12(2)21-20(29)23-18(17)13-7-6-8-14(11-13)24(26)27/h4-11,17-18H,2-3H2,1H3,(H,22,25)(H2,21,23,29)/t17-,18+/m0/s1