(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3S/c1-14-2-7-18-15(12-14)13-19(27-18)20(24)22-10-8-21(9-11-22)16-3-5-17(6-4-16)23(25)26/h3-6,13-14H,2,7-12H2,1H3