N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[5-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[5-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide IUPAC Name: N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[5-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H22N4O3S2/c1-13(2)28-17-9-7-15(8-10-17)19(27)23-20-24-25-21(30-20)29-12-18(26)22-16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3,(H,22,26)(H,23,24,27)