4-[2,4-bis(chloranyl)phenoxy]-N-[(2-indol-1-ylethanoylamino)carbamothioyl]butanamide

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-N-[(2-indol-1-ylethanoylamino)carbamothioyl]butanamide Openeye Name: 4-(2,4-dichlorophenoxy)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]butanamide CAS Name: 4-(2,4-dichlorophenoxy)-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: 4-(2,4-dichlorophenoxy)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]butanamide Traditional Name: 4-(2,4-dichlorophenoxy)-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]butyramide Formula: C21H20Cl2N4O3S MolecularWeight: 479.3795

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O3S/c22-15-7-8-18(16(23)12-15)30-11-3-6-19(28)24-21(31)26-25-20(29)13-27-10-9-14-4-1-2-5-17(14)27/h1-2,4-5,7-10,12H,3,6,11,13H2,(H,25,29)(H2,24,26,28,31)