N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-5-nitro-2-piperidino-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H22N4O4S/c1-30-17-8-5-15(6-9-17)19-14-31-22(23-19)24-21(27)18-13-16(26(28)29)7-10-20(18)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,24,27)