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

Systemtic Name: 4-tert-butyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-chloro-4-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=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

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

InChI

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