N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC(C3=CC=CS3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O3S/c1-15-6-4-10-24(14-15)17-9-8-16(12-18(17)25(27)28)21(26)22-13-19(23(2)3)20-7-5-11-29-20/h5,7-9,11-12,15,19H,4,6,10,13-14H2,1-3H3,(H,22,26)