4-chloranyl-N-[(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-chloranyl-N-[(2-methyl-5-morpholin-4-yl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-chloro-N-[(2-methyl-5-morpholino-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-chloro-N-[[2-methyl-5-(4-morpholinyl)-4-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[(2-methyl-5-morpholin-4-yl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-chloro-N-[(2-methyl-5-morpholino-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H19ClN4O4S MolecularWeight: 434.89656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC=C(C=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O4S/c1-12-10-17(24(26)27)16(23-6-8-28-9-7-23)11-15(12)21-19(29)22-18(25)13-2-4-14(20)5-3-13/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)