(5S)-1-butyl-5-[(diphenylmethyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-butyl-5-[(diphenylmethyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(benzhydryliminomethyl)-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-butyl-5-[(diphenylmethyl)iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(benzhydryliminomethyl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(benzhydryliminomethyl)-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C=NC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=S)C=NC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-2-3-14-25-21(27)18(20(26)24-22(25)28)15-23-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,2-3,14H2,1H3,(H,24,26,28)/t18-/m0/s1