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

Systemtic Name: N-butyl-3-[furan-2-ylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide Openeye Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furylmethyl)amino]-N-butyl-propanamide CAS Name: N-butyl-3-[2-furanylmethyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide IUPAC Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(furan-2-ylmethyl)amino]-N-butylpropanamide Traditional Name: 3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-furfuryl)amino]-N-butyl-propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-2-3-12-22-20(26)11-13-25(16-18-10-7-14-27-18)21-23-19(24-28-21)15-17-8-5-4-6-9-17/h4-10,14H,2-3,11-13,15-16H2,1H3,(H,22,26)