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

Systemtic Name: N-[3-(2-methylpiperidin-1-yl)propyl]-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-[3-(2-methyl-1-piperidyl)propyl]propanamide CAS Name: N-[3-(2-methyl-1-piperidinyl)propyl]-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-[3-(2-methylpiperidin-1-yl)propyl]propanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]-N-[3-(2-methylpiperidino)propyl]propionamide Formula: C25H39N5OS MolecularWeight: 457.67506

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)CCN(CC(C)C)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CC1CCCCN1CCCNC(=O)CCN(CC(C)C)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C25H39N5OS/c1-20(2)19-30(25-27-23(28-32-25)18-22-11-5-4-6-12-22)17-13-24(31)26-14-9-16-29-15-8-7-10-21(29)3/h4-6,11-12,20-21H,7-10,13-19H2,1-3H3,(H,26,31)