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

Systemtic Name: N-[(5-chloranylpyridin-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(5-chloro-2-pyridyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(5-chloropyridin-2-yl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(5-chloro-2-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=NC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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