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

Systemtic Name: 4-tert-butyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C24H32N3OS+ MolecularWeight: 410.59538

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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)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C24H31N3OS/c1-24(2,3)20-11-9-19(10-12-20)22(28)26-23(29)25-21-13-7-18(8-14-21)17-27-15-5-4-6-16-27/h7-14H,4-6,15-17H2,1-3H3,(H2,25,26,28,29)/p+1