4-tert-butyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3OS MolecularWeight: 395.56086

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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)CN3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C23H29N3OS/c1-23(2,3)19-10-8-18(9-11-19)21(27)25-22(28)24-20-12-6-17(7-13-20)16-26-14-4-5-15-26/h6-13H,4-5,14-16H2,1-3H3,(H2,24,25,27,28)