(3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-(4-m-anisylpiperazino)methanone Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-29-16-4-2-3-14(11-16)13-23-7-9-24(10-8-23)21(26)20-19(22)17-6-5-15(25(27)28)12-18(17)30-20/h2-6,11-12H,7-10,13H2,1H3