N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]butanamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]butanamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=CC(=CC(=C3O2)C)C

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=CC(=CC(=C3O2)C)C

InChI

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