(5E)-5-[(azepan-1-ylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-[(azepan-1-ylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-5-[(azepan-1-ylamino)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(1-azepanylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(azepan-1-ylamino)methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-5-[(azepan-1-ylamino)methylene]-1-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)N/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c22-15-14(12-18-20-10-6-1-2-7-11-20)16(23)21(17(24)19-15)13-8-4-3-5-9-13/h3-5,8-9,12,18H,1-2,6-7,10-11H2,(H,19,22,24)/b14-12+