3-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H21ClN3O2S2+ MolecularWeight: 446.99334

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c22-18-16-3-1-2-4-17(16)29-19(18)20(26)24-21(28)23-15-7-5-14(6-8-15)13-25-9-11-27-12-10-25/h1-8H,9-13H2,(H2,23,24,26,28)/p+1