N-[4-[(3-chloranyl-2-pyrrolidin-3-yl-phenyl)carbamothioylamino]phenyl]ethanamide

Systemtic Name: N-[4-[(3-chloranyl-2-pyrrolidin-3-yl-phenyl)carbamothioylamino]phenyl]ethanamide Openeye Name: N-[4-[(3-chloro-2-pyrrolidin-3-yl-phenyl)carbamothioylamino]phenyl]acetamide CAS Name: N-[4-[[[3-chloro-2-(3-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[4-[(3-chloro-2-pyrrolidin-3-ylphenyl)carbamothioylamino]phenyl]acetamide Traditional Name: N-[4-[(3-chloro-2-pyrrolidin-3-yl-phenyl)thiocarbamoylamino]phenyl]acetamide Formula: C19H21ClN4OS MolecularWeight: 388.91424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C(=CC=C2)Cl)C3CCNC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=C(C(=CC=C2)Cl)C3CCNC3

InChI

InChI=1S/C19H21ClN4OS/c1-12(25)22-14-5-7-15(8-6-14)23-19(26)24-17-4-2-3-16(20)18(17)13-9-10-21-11-13/h2-8,13,21H,9-11H2,1H3,(H,22,25)(H2,23,24,26)