[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-ethyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-ethylthiadiazole-5-carboxylate CAS Name: 4-ethyl-5-thiadiazolecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate Traditional Name: 4-ethylthiadiazole-5-carboxylic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CCC1=C(SN=N1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C19H24N4O3S/c1-2-16-18(27-22-21-16)19(25)26-13-17(24)20-14-7-9-15(10-8-14)23-11-5-3-4-6-12-23/h7-10H,2-6,11-13H2,1H3,(H,20,24)