2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide

Systemtic Name: 2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[(3-isobutoxybenzoyl)carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzamide Formula: C31H30N4O3S MolecularWeight: 538.6599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C31H30N4O3S/c1-21(2)20-38-26-12-8-9-22(19-26)29(36)35-31(39)34-28-14-7-6-13-27(28)30(37)33-25-17-15-24(16-18-25)32-23-10-4-3-5-11-23/h3-19,21,32H,20H2,1-2H3,(H,33,37)(H2,34,35,36,39)