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

Systemtic Name: (5R,6S)-N-(4-ethylphenyl)-4-methylidene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(2-benzyloxyphenyl)-N-(4-ethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (5R,6S)-N-(4-ethylphenyl)-4-methylene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (5R,6S)-N-(4-ethylphenyl)-4-methylidene-6-(2-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(2-benzoxyphenyl)-N-(4-ethylphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2C(NC(=S)NC2=C)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H](NC(=S)NC2=C)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-3-19-13-15-21(16-14-19)29-26(31)24-18(2)28-27(33)30-25(24)22-11-7-8-12-23(22)32-17-20-9-5-4-6-10-20/h4-16,24-25H,2-3,17H2,1H3,(H,29,31)(H2,28,30,33)/t24-,25+/m0/s1