methyl 2-[4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[4-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[4-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H23N5O4S2 MolecularWeight: 497.58982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O4S2/c1-32-21(31)18-10-6-5-9-17(18)20(30)27-11-13-28(14-12-27)22-25-26-23(34-22)33-15-19(29)24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,24,29)