N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloranyl-4-methyl-pentanamide

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloranyl-4-methyl-pentanamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-chloro-4-methyl-pentanamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-chloro-4-methylpentanamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-chloro-4-methylpentanamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-chloro-4-methyl-valeramide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)OC)Cl

Isomeric SMILES

CC(C)(CCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3O2)OC)Cl

InChI

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