N-[(4-butoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-4-isobutoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-5-14-26-19-12-8-18(9-13-19)23-22(28)24-21(25)17-6-10-20(11-7-17)27-15-16(2)3/h6-13,16H,4-5,14-15H2,1-3H3,(H2,23,24,25,28)