(4S,5S)-N-(2-chlorophenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide

Systemtic Name: (4S,5S)-N-(2-chlorophenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5S)-N-(2-chlorophenyl)-4-(4-ethoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5S)-N-(2-chlorophenyl)-4-(4-ethoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5S)-N-(2-chlorophenyl)-4-(4-ethoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (5S,6S)-N-(2-chlorophenyl)-4-methylene-6-p-phenetyl-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-3-26-14-10-8-13(9-11-14)18-17(12(2)22-20(27)24-18)19(25)23-16-7-5-4-6-15(16)21/h4-11,17-18H,2-3H2,1H3,(H,23,25)(H2,22,24,27)/t17-,18-/m1/s1