[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]amino]ethyl] ester Formula: C18H23N5OS3 MolecularWeight: 421.60312

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CSC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C18H23N5OS3/c1-25-18-22-21-16(27-18)20-15(24)13-26-17(19-14-9-5-4-6-10-14)23-11-7-2-3-8-12-23/h4-6,9-10H,2-3,7-8,11-13H2,1H3,(H,20,21,24)