[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-4-nitro-thiophen-2-yl)methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-(5-methyl-4-nitro-2-thiophenyl)methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-4-nitrothiophen-2-yl)methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-(5-methyl-4-nitro-2-thienyl)methanone Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S/c1-12-5-4-6-15(13(12)2)19-7-9-20(10-8-19)18(22)17-11-16(21(23)24)14(3)25-17/h4-6,11H,7-10H2,1-3H3