[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(methylamino)-5-nitro-phenyl]methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-[2-(methylamino)-5-nitrophenyl]methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-[2-(methylamino)-5-nitrophenyl]methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-[2-(methylamino)-5-nitro-phenyl]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N4O3S/c1-22-19-7-6-16(25(27)28)12-18(19)21(26)24-10-8-23(9-11-24)13-15-14-29-20-5-3-2-4-17(15)20/h2-7,12,14,22H,8-11,13H2,1H3