N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 4-propoxy-N-[(3-sec-butoxyphenyl)carbamothioyl]benzamide CAS Name: N-[(3-butan-2-yloxyanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[(3-butan-2-yloxyphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 4-propoxy-N-[(3-sec-butoxyphenyl)thiocarbamoyl]benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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