3-butan-2-yloxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-butan-2-yloxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(3-propoxyphenyl)carbamothioyl]-3-sec-butoxy-benzamide CAS Name: 3-butan-2-yloxy-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butan-2-yloxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(3-propoxyphenyl)thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-12-25-18-10-7-9-17(14-18)22-21(27)23-20(24)16-8-6-11-19(13-16)26-15(3)5-2/h6-11,13-15H,4-5,12H2,1-3H3,(H2,22,23,24,27)