ethyl 4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NN=C(S2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3S2/c1-2-25-17(24)22-10-8-21(9-11-22)15-19-20-16(27-15)26-12-14(23)18-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,18,23)