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

Systemtic Name: (4R,5S)-4-(4-cyanophenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-benzyl-4-(4-cyanophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(4-cyanophenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-benzyl-4-(4-cyanophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-benzyl-4-(4-cyanophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=CC=C(C=C2)C#N)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@H]([C@@H](NC(=S)N1)C2=CC=C(C=C2)C#N)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18N4OS/c1-13-17(19(25)22-12-15-5-3-2-4-6-15)18(24-20(26)23-13)16-9-7-14(11-21)8-10-16/h2-10,17-18H,1,12H2,(H,22,25)(H2,23,24,26)/t17-,18+/m1/s1