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

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]valeramide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-2-3-4-18(25)24-20(27)22-15-9-10-17-16(12-15)23-19(26-17)11-13-5-7-14(21)8-6-13/h5-10,12H,2-4,11H2,1H3,(H2,22,24,25,27)