N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-pentoxy-benzamide

Systemtic Name: N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[(4-isobutoxyphenyl)carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[(4-isobutoxyphenyl)thiocarbamoyl]benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C23H30N2O3S/c1-4-5-6-15-27-20-11-7-18(8-12-20)22(26)25-23(29)24-19-9-13-21(14-10-19)28-16-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,24,25,26,29)