N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[[4-(butanoylamino)phenyl]carbonylamino]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[[oxo-[4-(1-oxobutylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[(4-butyramidobenzoyl)amino]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OC(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OC(C)C

InChI

InChI=1S/C22H26N4O4S/c1-4-6-19(27)23-17-11-9-15(10-12-17)21(29)25-26-22(31)24-20(28)16-7-5-8-18(13-16)30-14(2)3/h5,7-14H,4,6H2,1-3H3,(H,23,27)(H,25,29)(H2,24,26,28,31)