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

Systemtic Name: (4S,5R)-4-(3-bromophenyl)-N,N-diethyl-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Openeye Name: (4S,5R)-4-(3-bromophenyl)-N,N-diethyl-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide CAS Name: (4S,5R)-4-(3-bromophenyl)-N,N-diethyl-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxamide IUPAC Name: (4S,5R)-4-(3-bromophenyl)-N,N-diethyl-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxamide Traditional Name: (4S,5R)-4-(3-bromophenyl)-N,N-diethyl-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxamide Formula: C16H20BrN3OS MolecularWeight: 382.3185

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1C(NC(=S)NC1=C)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN(CC)C(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrN3OS/c1-4-20(5-2)15(21)13-10(3)18-16(22)19-14(13)11-7-6-8-12(17)9-11/h6-9,13-14H,3-5H2,1-2H3,(H2,18,19,22)/t13-,14+/m0/s1