4-[2-[(5-bromanyl-2-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(5-bromanyl-2-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(5-bromo-2-morpholino-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[5-bromo-2-(4-morpholinyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(5-bromo-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(5-bromo-2-morpholino-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H19BrN4O5S MolecularWeight: 495.34696

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Br)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Br)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19BrN4O5S/c20-13-2-3-15(23-5-7-29-8-6-23)14(10-13)22-18(25)11-30-17-4-1-12(19(21)26)9-16(17)24(27)28/h1-4,9-10H,5-8,11H2,(H2,21,26)(H,22,25)