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

Systemtic Name: N-[(4-iodophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(4-iodophenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(4-iodoanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(4-iodophenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(4-iodophenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C18H17IN4O4S MolecularWeight: 512.32145

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)I)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)I)[N+](=O)[O-]

InChI

InChI=1S/C18H17IN4O4S/c19-13-2-4-14(5-3-13)20-18(28)21-17(24)12-1-6-15(16(11-12)23(25)26)22-7-9-27-10-8-22/h1-6,11H,7-10H2,(H2,20,21,24,28)