[4-(3-methylphenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-(5-nitro-2-thiophenyl)methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(m-tolyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-12-3-2-4-13(11-12)17-7-9-18(10-8-17)16(20)14-5-6-15(23-14)19(21)22/h2-6,11H,7-10H2,1H3