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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-13-6-2-3-7-15(13)18(24)22-19(25)21-14-8-9-17(16(20)12-14)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,21,22,24,25)