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

Systemtic Name: (5S,6R)-N-(4-chloranyl-2-methoxy-phenyl)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide Openeye Name: (5S,6R)-N-(4-chloro-2-methoxy-phenyl)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5S,6R)-N-(4-chloro-2-methoxyphenyl)-4-methylene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide IUPAC Name: (5S,6R)-N-(4-chloro-2-methoxyphenyl)-4-methylidene-2-sulfanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxamide Traditional Name: (5S,6R)-N-(4-chloro-2-methoxy-phenyl)-4-methylene-6-(2-thienyl)-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C17H16ClN3O2S2 MolecularWeight: 393.91084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)NC(=O)C2C(NC(=S)NC2=C)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)NC(=O)[C@H]2[C@@H](NC(=S)NC2=C)C3=CC=CS3

InChI

InChI=1S/C17H16ClN3O2S2/c1-9-14(15(21-17(24)19-9)13-4-3-7-25-13)16(22)20-11-6-5-10(18)8-12(11)23-2/h3-8,14-15H,1H2,2H3,(H,20,22)(H2,19,21,24)/t14-,15+/m1/s1