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

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methyl-valeramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)3-10-19(26)25-21(28)23-16-8-9-18-17(12-16)24-20(27-18)11-14-4-6-15(22)7-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,25,26,28)