3,3-dimethyl-N-[(4-pentoxyphenyl)carbamothioyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[(4-pentoxyphenyl)carbamothioyl]butanamide Openeye Name: 3,3-dimethyl-N-[(4-pentoxyphenyl)carbamothioyl]butanamide CAS Name: 3,3-dimethyl-N-[(4-pentoxyanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3,3-dimethyl-N-[(4-pentoxyphenyl)carbamothioyl]butanamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3,3-dimethyl-butyramide Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CC(C)(C)C

InChI

InChI=1S/C18H28N2O2S/c1-5-6-7-12-22-15-10-8-14(9-11-15)19-17(23)20-16(21)13-18(2,3)4/h8-11H,5-7,12-13H2,1-4H3,(H2,19,20,21,23)