N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-19(2,3)17(24)23-18(26)21-13-7-8-15-14(10-13)22-16(25-15)11-5-4-6-12(20)9-11/h4-10H,1-3H3,(H2,21,23,24,26)