1-[(2S)-butan-2-yl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-[(2S)-butan-2-yl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-[(1S)-1-methylpropyl]-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-[(2S)-butan-2-yl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-[(2S)-butan-2-yl]-5-[(phenethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-[(1S)-1-methylpropyl]-5-[(phenethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CNCCC2=CC=CC=C2)C(=O)NC1=S

Isomeric SMILES

CC[C@H](C)N1C(=O)C(=CNCCC2=CC=CC=C2)C(=O)NC1=S

InChI

InChI=1S/C17H21N3O2S/c1-3-12(2)20-16(22)14(15(21)19-17(20)23)11-18-10-9-13-7-5-4-6-8-13/h4-8,11-12,18H,3,9-10H2,1-2H3,(H,19,21,23)/t12-/m0/s1