(2Z)-2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-cyano-ethanethioamide

Systemtic Name: (2Z)-2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-2-cyano-ethanethioamide Openeye Name: (1Z)-2-amino-N-[4-(azepan-1-ylsulfonyl)anilino]-2-thioxo-acetimidoyl cyanide CAS Name: (2Z)-2-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-2-cyanoethanethioamide IUPAC Name: (1Z)-2-amino-N-[4-(azepan-1-ylsulfonyl)anilino]-2-sulfanylideneethanimidoyl cyanide Traditional Name: (2Z)-2-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-2-cyano-thioacetamide Formula: C15H19N5O2S2 MolecularWeight: 365.47366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=S)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N/N=C(/C#N)\C(=S)N

InChI

InChI=1S/C15H19N5O2S2/c16-11-14(15(17)23)19-18-12-5-7-13(8-6-12)24(21,22)20-9-3-1-2-4-10-20/h5-8,18H,1-4,9-10H2,(H2,17,23)/b19-14-