N-hexyl-3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide

Systemtic Name: N-hexyl-3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]-N-hexyl-propanamide CAS Name: N-hexyl-3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]-N-hexylpropanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]-N-hexyl-propionamide Formula: C22H34N4OS MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCN(CC(C)C)C1=NC(=NS1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCNC(=O)CCN(CC(C)C)C1=NC(=NS1)CC2=CC=CC=C2

InChI

InChI=1S/C22H34N4OS/c1-4-5-6-10-14-23-21(27)13-15-26(17-18(2)3)22-24-20(25-28-22)16-19-11-8-7-9-12-19/h7-9,11-12,18H,4-6,10,13-17H2,1-3H3,(H,23,27)