N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[[2-(2,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-4-5-18(24)23-20(26)21-14-7-9-17-16(11-14)22-19(25-17)15-8-6-12(2)10-13(15)3/h6-11H,4-5H2,1-3H3,(H2,21,23,24,26)