N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O3S/c1-18-12-14-29(15-13-18)24-11-6-21(17-25(24)30(32)33)27(31)28-22-7-9-23(10-8-22)34-26-16-19(2)4-5-20(26)3/h4-11,16-18H,12-15H2,1-3H3,(H,28,31)