3-(2-methylpropanoylamino)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-(isobutyrylamino)-N-[5-(3-phenylpropylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S2/c1-15(2)19(27)23-18-12-6-11-17(14-18)20(28)24-21-25-26-22(30-21)29-13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,23,27)(H,24,25,28)