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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(morpholinomethyl)thiazol-2-yl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylmethyl)-2-thiazolyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[4-(morpholinomethyl)thiazol-2-yl]-5-nitro-benzamide Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1CC2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c22-14-1-4-17(5-2-14)32-19-6-3-16(26(28)29)11-18(19)20(27)24-21-23-15(13-31-21)12-25-7-9-30-10-8-25/h1-6,11,13H,7-10,12H2,(H,23,24,27)