4-tert-butyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3OS/c1-22(2,3)17-12-10-16(11-13-17)20(26)24-21(27)23-18-8-4-5-9-19(18)25-14-6-7-15-25/h4-5,8-13H,6-7,14-15H2,1-3H3,(H2,23,24,26,27)