N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[(3-isopentyloxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[(3-isoamoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-13-26-19-10-8-17(9-11-19)21(25)24-22(28)23-18-6-5-7-20(15-18)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H2,23,24,25,28)