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

Systemtic Name: N-[(2-chloranylpyridin-3-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-chloro-3-pyridyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-chloropyridin-3-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-chloro-3-pyridyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C17H16ClN5O4S MolecularWeight: 421.85804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN5O4S/c18-15-12(2-1-5-19-15)20-17(28)21-16(24)11-3-4-13(14(10-11)23(25)26)22-6-8-27-9-7-22/h1-5,10H,6-9H2,(H2,20,21,24,28)