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

Systemtic Name: (5S,6R)-4-methylidene-N-(3-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide Openeye Name: (5S,6R)-4-methylene-N-(3-nitrophenyl)-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-4-methylene-N-(3-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-4-methylidene-N-(3-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-4-methylene-N-(3-nitrophenyl)-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S2/c1-9-13(14(19-16(24)17-9)12-6-3-7-25-12)15(21)18-10-4-2-5-11(8-10)20(22)23/h2-8,13-14H,1H2,(H,18,21)(H2,17,19,24)/t13-,14+/m1/s1