N-[(3-chlorophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(3-chlorophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(3-chlorophenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(3-chloroanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(3-chlorophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(3-chlorophenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c19-12-2-1-3-13(10-12)20-18(28)21-17(24)15-11-14(23(25)26)4-5-16(15)22-6-8-27-9-7-22/h1-5,10-11H,6-9H2,(H2,20,21,24,28)