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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: (5-nitrobenzothiophen-2-yl)-[4-(o-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-(5-nitrobenzothiophen-2-yl)methanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-15-4-2-3-5-16(15)14-22-8-10-23(11-9-22)21(25)20-13-17-12-18(24(26)27)6-7-19(17)28-20/h2-7,12-13H,8-11,14H2,1H3