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

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S/c1-2-29-19-6-3-16(4-7-19)15-23-9-11-24(12-10-23)22(26)21-14-17-13-18(25(27)28)5-8-20(17)30-21/h3-8,13-14H,2,9-12,15H2,1H3