1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanyl-ethanone Openeye Name: 1-[3-methyl-4-(m-tolyl)piperazin-1-yl]-2-[(2-nitro-3-thienyl)sulfanyl]ethanone CAS Name: 1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-2-[(2-nitro-3-thiophenyl)thio]ethanone IUPAC Name: 1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-(2-nitrothiophen-3-yl)sulfanylethanone Traditional Name: 1-[3-methyl-4-(m-tolyl)piperazino]-2-[(2-nitro-3-thienyl)thio]ethanone Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CSC3=C(SC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CSC3=C(SC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S2/c1-13-4-3-5-15(10-13)20-8-7-19(11-14(20)2)17(22)12-26-16-6-9-25-18(16)21(23)24/h3-6,9-10,14H,7-8,11-12H2,1-2H3