(5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(cyclopropyliminomethyl)-1-phenethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=CC2C(=O)NC(=S)N(C2=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC1N=C[C@H]2C(=O)NC(=S)N(C2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C16H17N3O2S/c20-14-13(10-17-12-6-7-12)15(21)19(16(22)18-14)9-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,18,20,22)/t13-/m0/s1