N-[4-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-[[2-(3,4-dimethylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25N3O3S/c1-4-5-19(25)22-16-7-9-17(10-8-16)23-21(28)24-20(26)13-27-18-11-6-14(2)15(3)12-18/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H2,23,24,26,28)