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

Systemtic Name: (3-chloranyl-6-nitro-1-benzothiophen-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-nitro-1-benzothiophen-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (3-chloro-6-nitro-benzothiophen-2-yl)-[4-(4-methylbenzyl)piperazino]methanone Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-14-2-4-15(5-3-14)13-23-8-10-24(11-9-23)21(26)20-19(22)17-7-6-16(25(27)28)12-18(17)29-20/h2-7,12H,8-11,13H2,1H3