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

Systemtic Name: 3-chloranyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-4-methyl-benzamide Formula: C19H19Cl2N3OS MolecularWeight: 408.34466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3OS/c1-12-7-8-13(11-15(12)21)18(25)23-19(26)22-16-6-4-5-14(20)17(16)24-9-2-3-10-24/h4-8,11H,2-3,9-10H2,1H3,(H2,22,23,25,26)