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

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-[4-(4-morpholinylmethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)CN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S2/c1-14(2)5-10-29-18-4-3-15(11-17(18)24(26)27)19(25)22-20-21-16(13-30-20)12-23-6-8-28-9-7-23/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,21,22,25)