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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methyl-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C19H20ClN3OS/c1-13-7-9-14(10-8-13)18(24)22-19(25)21-16-6-4-5-15(20)17(16)23-11-2-3-12-23/h4-10H,2-3,11-12H2,1H3,(H2,21,22,24,25)