N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H29N3O2S/c1-17(2)28-21-12-8-19(9-13-21)22(27)25-23(29)24-20-10-6-18(7-11-20)16-26-14-4-3-5-15-26/h6-13,17H,3-5,14-16H2,1-2H3,(H2,24,25,27,29)/p+1