3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-(pyridin-4-ylmethyl)propanamide

Systemtic Name: 3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-N-(pyridin-4-ylmethyl)propanamide Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]-N-(4-pyridylmethyl)propanamide CAS Name: 3-[[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(pyridin-4-ylmethyl)propanamide IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]-N-(pyridin-4-ylmethyl)propanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isopropyl-amino]-N-(4-pyridylmethyl)propionamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)NCC1=CC=NC=C1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N(CCC(=O)NCC1=CC=NC=C1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-16(2)26(13-10-20(27)23-15-18-8-11-22-12-9-18)21-24-19(25-28-21)14-17-6-4-3-5-7-17/h3-9,11-12,16H,10,13-15H2,1-2H3,(H,23,27)