N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C25H24ClN3O2S MolecularWeight: 465.99496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24ClN3O2S/c26-21-9-6-10-22(23(21)29-15-4-5-16-29)27-25(32)28-24(30)19-11-13-20(14-12-19)31-17-18-7-2-1-3-8-18/h1-3,6-14H,4-5,15-17H2,(H2,27,28,30,32)