4-[1-azanyl-2-(naphthalen-1-ylcarbamothioylamino)ethyl]-N-pyridin-4-yl-benzamide

Systemtic Name: 4-[1-azanyl-2-(naphthalen-1-ylcarbamothioylamino)ethyl]-N-pyridin-4-yl-benzamide Openeye Name: 4-[1-amino-2-(1-naphthylcarbamothioylamino)ethyl]-N-(4-pyridyl)benzamide CAS Name: 4-[1-amino-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]ethyl]-N-pyridin-4-ylbenzamide IUPAC Name: 4-[1-amino-2-(naphthalen-1-ylcarbamothioylamino)ethyl]-N-pyridin-4-ylbenzamide Traditional Name: 4-[1-amino-2-(1-naphthylthiocarbamoylamino)ethyl]-N-(4-pyridyl)benzamide Formula: C25H23N5OS MolecularWeight: 441.54802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC(C3=CC=C(C=C3)C(=O)NC4=CC=NC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC(C3=CC=C(C=C3)C(=O)NC4=CC=NC=C4)N

InChI

InChI=1S/C25H23N5OS/c26-22(16-28-25(32)30-23-7-3-5-17-4-1-2-6-21(17)23)18-8-10-19(11-9-18)24(31)29-20-12-14-27-15-13-20/h1-15,22H,16,26H2,(H,27,29,31)(H2,28,30,32)