[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: (5-nitrobenzothiophen-2-yl)-(4-p-anisylpiperazino)methanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-28-18-5-2-15(3-6-18)14-22-8-10-23(11-9-22)21(25)20-13-16-12-17(24(26)27)4-7-19(16)29-20/h2-7,12-13H,8-11,14H2,1H3