N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(4-chlorophenyl)-5-methyl-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-chlorophenyl)-5-methyl-thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4S/c1-13-19(14-2-4-15(22)5-3-14)23-21(31-13)24-20(27)17-12-16(26(28)29)6-7-18(17)25-8-10-30-11-9-25/h2-7,12H,8-11H2,1H3,(H,23,24,27)