N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S/c30-25(24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)28-26(32)27-23-13-11-20(12-14-23)19-29-15-17-31-18-16-29/h1-14,24H,15-19H2,(H2,27,28,30,32)/p+1