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

Systemtic Name: 4-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C20H23N4O5S+ MolecularWeight: 431.48542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-28-18-7-4-15(12-17(18)24(26)27)19(25)22-20(30)21-16-5-2-14(3-6-16)13-23-8-10-29-11-9-23/h2-7,12H,8-11,13H2,1H3,(H2,21,22,25,30)/p+1