4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-(4-chlorobenzyl)oxy-3-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C28H31ClN3O3S+ MolecularWeight: 525.08204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H30ClN3O3S/c1-34-26-17-22(9-14-25(26)35-19-21-5-10-23(29)11-6-21)27(33)31-28(36)30-24-12-7-20(8-13-24)18-32-15-3-2-4-16-32/h5-14,17H,2-4,15-16,18-19H2,1H3,(H2,30,31,33,36)/p+1