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

Systemtic Name: 3,6-bis(chloranyl)-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzothiophene-2-carboxamide Formula: C24H23Cl2N5O4S2 MolecularWeight: 580.50652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=C(C5=C(S4)C=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H23Cl2N5O4S2/c25-15-1-3-17-20(13-15)37-22(21(17)26)23(32)27-24(36)30-7-5-28(6-8-30)16-2-4-18(31(33)34)19(14-16)29-9-11-35-12-10-29/h1-4,13-14H,5-12H2,(H,27,32,36)