5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H19N5O4S2/c22-14-13(15(23)18-16(26)17-14)20-19-11-5-7-12(8-6-11)27(24,25)21-9-3-1-2-4-10-21/h5-8,19H,1-4,9-10H2,(H2,17,18,22,23,26)