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

Systemtic Name: (4R,5S)-4-(3-bromophenyl)-6-methylidene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4R,5S)-N-benzyl-4-(3-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4R,5S)-4-(3-bromophenyl)-6-methylene-N-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4R,5S)-N-benzyl-4-(3-bromophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4R,5S)-N-benzyl-4-(3-bromophenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C19H18BrN3OS MolecularWeight: 416.33472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3OS/c1-12-16(18(24)21-11-13-6-3-2-4-7-13)17(23-19(25)22-12)14-8-5-9-15(20)10-14/h2-10,16-17H,1,11H2,(H,21,24)(H2,22,23,25)/t16-,17+/m1/s1