N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-2-naphthamide Formula: C23H24N3O2S+ MolecularWeight: 406.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H23N3O2S/c27-22(20-8-7-18-3-1-2-4-19(18)15-20)25-23(29)24-21-9-5-17(6-10-21)16-26-11-13-28-14-12-26/h1-10,15H,11-14,16H2,(H2,24,25,27,29)/p+1