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

Systemtic Name: 2,2-dimethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=C(C(=CC=C3)NC(=S)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H23N3O2S/c1-12-9-10-17-16(11-12)22-18(26-17)14-7-6-8-15(13(14)2)23-20(27)24-19(25)21(3,4)5/h6-11H,1-5H3,(H2,23,24,25,27)