(5-methyl-4-nitro-thiophen-2-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4-nitro-thiophen-2-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-1-yl]-(5-methyl-4-nitro-2-thienyl)methanone CAS Name: (5-methyl-4-nitro-2-thiophenyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (5-methyl-4-nitrothiophen-2-yl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazino]-(5-methyl-4-nitro-2-thienyl)methanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O3S/c1-14(2)17-6-4-16(5-7-17)13-21-8-10-22(11-9-21)20(24)19-12-18(23(25)26)15(3)27-19/h4-7,12,14H,8-11,13H2,1-3H3