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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2-methoxybenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C19H20ClN3O2S/c1-25-17-7-3-2-6-14(17)18(24)22-19(26)21-13-8-9-16(15(20)12-13)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,21,22,24,26)