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

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O2S/c29-24(22-10-8-21(9-11-22)20-4-2-1-3-5-20)27-25(31)26-23-12-6-19(7-13-23)18-28-14-16-30-17-15-28/h1-13H,14-18H2,(H2,26,27,29,31)/p+1