N-[(3-butoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[(3-butoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[(3-butoxyphenyl)carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[(3-butoxyanilino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(3-butoxyphenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[(3-butoxyphenyl)thiocarbamoyl]-3-isobutoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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