N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

InChI

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