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

Systemtic Name: 3-[furan-2-ylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]-N-hexyl-propanamide Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furylmethyl)amino]-N-hexyl-propanamide CAS Name: 3-[2-furanylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]-N-hexylpropanamide IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-hexylpropanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furfuryl)amino]-N-hexyl-propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCN(CC1=CC=CO1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CCN(CC1=CC=CO1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-2-3-4-8-14-24-22(28)13-15-27(18-20-12-9-16-29-20)23-25-21(26-30-23)17-19-10-6-5-7-11-19/h5-7,9-12,16H,2-4,8,13-15,17-18H2,1H3,(H,24,28)