3,4-diethoxy-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3,4-diethoxy-N-[5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-anilino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide CAS Name: N-[5-[(2-anilino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide IUPAC Name: N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-diethoxybenzamide Traditional Name: N-[5-[(2-anilino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-3,4-diethoxy-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3)OCC

InChI

InChI=1S/C21H22N4O4S2/c1-3-28-16-11-10-14(12-17(16)29-4-2)19(27)23-20-24-25-21(31-20)30-13-18(26)22-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H,22,26)(H,23,24,27)