N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c30-25(22-7-4-8-24(17-22)32-19-21-5-2-1-3-6-21)28-26(33)27-23-11-9-20(10-12-23)18-29-13-15-31-16-14-29/h1-12,17H,13-16,18-19H2,(H2,27,28,30,33)/p+1