N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C(C)C)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H19N3O2S/c1-11(2)17(23)22-19(25)21-14-9-6-7-13(12(14)3)18-20-15-8-4-5-10-16(15)24-18/h4-11H,1-3H3,(H2,21,22,23,25)