2-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoyl-propyl-amino]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]-propyl-amino]-N-(o-tolyl)acetamide CAS Name: 2-[[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[2-[(6-chloro-1,3-benzoxazol-2-yl)thio]acetyl]-propyl-amino]-N-(o-tolyl)acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CSC2=NC3=C(O2)C=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O3S/c1-3-10-25(12-19(26)23-16-7-5-4-6-14(16)2)20(27)13-29-21-24-17-9-8-15(22)11-18(17)28-21/h4-9,11H,3,10,12-13H2,1-2H3,(H,23,26)