N-(3-ethanoylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-(3-ethanoylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(3-acetylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]thiadiazole-4-carboxamide CAS Name: N-(3-acetylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(3-acetylphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide Traditional Name: N-(3-acetylphenyl)-N-[2-keto-2-(p-anisylamino)ethyl]thiadiazole-4-carboxamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)C(=O)C3=CSN=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N(CC(=O)NCC2=CC=C(C=C2)OC)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H20N4O4S/c1-14(26)16-4-3-5-17(10-16)25(21(28)19-13-30-24-23-19)12-20(27)22-11-15-6-8-18(29-2)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,22,27)