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

Systemtic Name: 4-tert-butyl-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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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=C2C(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCC3

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)17-12-10-16(11-13-17)20(27)25-22(29)24-19-9-5-4-8-18(19)21(28)26-14-6-7-15-26/h4-5,8-13H,6-7,14-15H2,1-3H3,(H2,24,25,27,29)