N-[(3-hexoxyphenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-4-isopropyl-benzamide Formula: C23H30N2O2S MolecularWeight: 398.5615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C23H30N2O2S/c1-4-5-6-7-15-27-21-10-8-9-20(16-21)24-23(28)25-22(26)19-13-11-18(12-14-19)17(2)3/h8-14,16-17H,4-7,15H2,1-3H3,(H2,24,25,26,28)