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

Systemtic Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-[(2-methyl-1-oxopropyl)amino]-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-(2-methylpropanoylamino)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-(isobutyrylamino)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)C(=O)NC2=NN=C(S2)CCCOC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O3S/c1-15(2)20(27)23-17-9-6-8-16(14-17)21(28)24-22-26-25-19(30-22)12-7-13-29-18-10-4-3-5-11-18/h3-6,8-11,14-15H,7,12-13H2,1-2H3,(H,23,27)(H,24,26,28)