N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]-3-nitro-benzamide

Systemtic Name: N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]-3-nitro-benzamide Openeye Name: N-[3-(1-isobutyl-4-piperidyl)benzothiophen-5-yl]-3-nitro-benzamide CAS Name: N-[3-[1-(2-methylpropyl)-4-piperidinyl]-1-benzothiophen-5-yl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(2-methylpropyl)piperidin-4-yl]-1-benzothiophen-5-yl]-3-nitrobenzamide Traditional Name: N-[3-(1-isobutyl-4-piperidyl)benzothiophen-5-yl]-3-nitro-benzamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1CCC(CC1)C2=CSC3=C2C=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O3S/c1-16(2)14-26-10-8-17(9-11-26)22-15-31-23-7-6-19(13-21(22)23)25-24(28)18-4-3-5-20(12-18)27(29)30/h3-7,12-13,15-17H,8-11,14H2,1-2H3,(H,25,28)