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

Systemtic Name: (5S,6R)-4-methylidene-6-(4-nitrophenyl)-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (5S,6R)-N-benzyl-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-4-methylene-6-(4-nitrophenyl)-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-N-benzyl-4-methylidene-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-N-benzyl-4-methylene-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O3S/c1-12-16(18(24)20-11-13-5-3-2-4-6-13)17(22-19(27)21-12)14-7-9-15(10-8-14)23(25)26/h2-10,16-17H,1,11H2,(H,20,24)(H2,21,22,27)/t16-,17+/m1/s1