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

Systemtic Name: N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-(morpholinomethyl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-(4-morpholinylmethyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-(morpholinomethyl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c24-18(15-3-7-17(8-4-15)23(25)26)21-19(28)20-16-5-1-14(2-6-16)13-22-9-11-27-12-10-22/h1-8H,9-13H2,(H2,20,21,24,28)