(4R,5S)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4R,5S)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-4-(4-benzyloxy-3-ethoxy-phenyl)-6-methylene-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylidene-N-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-4-(4-benzoxy-3-ethoxy-phenyl)-6-methylene-N-phenyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-3-32-23-16-20(14-15-22(23)33-17-19-10-6-4-7-11-19)25-24(18(2)28-27(34)30-25)26(31)29-21-12-8-5-9-13-21/h4-16,24-25H,2-3,17H2,1H3,(H,29,31)(H2,28,30,34)/t24-,25+/m1/s1