4-morpholin-4-yl-3-nitro-N-[(2-sulfanylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2-sulfanylphenyl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(2-sulfanylphenyl)carbamothioyl]benzamide CAS Name: N-[(2-mercaptoanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2-sulfanylphenyl)carbamothioyl]benzamide Traditional Name: N-[(2-mercaptophenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3S)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=CC=C3S)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c23-17(20-18(28)19-13-3-1-2-4-16(13)27)12-5-6-14(15(11-12)22(24)25)21-7-9-26-10-8-21/h1-6,11,27H,7-10H2,(H2,19,20,23,28)