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

Systemtic Name: 4-tert-butyl-N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C22H26ClN3OS MolecularWeight: 415.97934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3OS/c1-22(2,3)16-11-9-15(10-12-16)20(27)25-21(28)24-18-8-6-7-17(23)19(18)26-13-4-5-14-26/h6-12H,4-5,13-14H2,1-3H3,(H2,24,25,27,28)