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

Systemtic Name: 4-(3-methylpiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(3-methyl-1-piperidyl)-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(3-methyl-1-piperidinyl)-N-[4-(4-morpholinylmethyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(3-methylpiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(3-methylpiperidino)-N-[4-(morpholinomethyl)thiazol-2-yl]-3-nitro-benzamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)CN4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)CN4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4S/c1-15-3-2-6-25(12-15)18-5-4-16(11-19(18)26(28)29)20(27)23-21-22-17(14-31-21)13-24-7-9-30-10-8-24/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3,(H,22,23,27)