N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-isoamoxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27N3O5S/c1-14(2)10-11-30-17-7-5-6-15(12-17)20(26)23-22(31)25-24-21(27)16-8-9-18(28-3)19(13-16)29-4/h5-9,12-14H,10-11H2,1-4H3,(H,24,27)(H2,23,25,26,31)