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

Systemtic Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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