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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O4S/c1-15-4-3-11-28(13-15)21-10-7-18(12-22(21)29(32)33)23(31)27-24-26-20(14-34-24)17-5-8-19(9-6-17)25-16(2)30/h5-10,12,14-15H,3-4,11,13H2,1-2H3,(H,25,30)(H,26,27,31)/t15-/m0/s1