3,6-bis(chloranyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C25H25Cl2N5O3S2 MolecularWeight: 578.5337

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H25Cl2N5O3S2/c26-16-4-6-18-21(14-16)37-23(22(18)27)24(33)28-25(36)31-12-10-29(11-13-31)17-5-7-19(32(34)35)20(15-17)30-8-2-1-3-9-30/h4-7,14-15H,1-3,8-13H2,(H,28,33,36)