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

Systemtic Name: (5S,6R)-4-methylidene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-4-(3-benzyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-4-methylene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-4-methylidene-6-(3-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-4-(3-benzoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H19N3O2S/c1-12-16(18(20)23)17(22-19(25)21-12)14-8-5-9-15(10-14)24-11-13-6-3-2-4-7-13/h2-10,16-17H,1,11H2,(H2,20,23)(H2,21,22,25)/t16-,17+/m1/s1