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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,4-dimethyl-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,4-dimethyl-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,4-dimethylbenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2,4-dimethylbenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2,4-dimethyl-benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c1-13-5-7-16(14(2)11-13)19(25)23-20(26)22-15-6-8-18(17(21)12-15)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,25,26)