3-(3-methylbutoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[(4-propoxyphenyl)carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[(4-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[(4-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[(4-propoxyphenyl)thiocarbamoyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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