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

Systemtic Name: (3-chloranyl-6-methyl-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-6-methyl-1-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O3S/c1-13-2-7-16-17(12-13)28-19(18(16)21)20(25)23-10-8-22(9-11-23)14-3-5-15(6-4-14)24(26)27/h2-7,12H,8-11H2,1H3