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

Systemtic Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C19H25N5OS2 MolecularWeight: 403.5647

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C19H25N5OS2/c1-2-17-22-23-18(27-17)21-16(25)14-26-19(20-15-10-6-5-7-11-15)24-12-8-3-4-9-13-24/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,21,23,25)