(3-chloranyl-1-benzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN4O3S/c23-20-16-3-1-2-4-19(16)31-21(20)22(28)26-11-9-25(10-12-26)15-7-8-18(27(29)30)17(13-15)24-14-5-6-14/h1-4,7-8,13-14,24H,5-6,9-12H2