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

Systemtic Name: 3,6-bis(chloranyl)-N-(3-nitro-4-piperazin-1-yl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-[3-nitro-4-(1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-(3-nitro-4-piperazin-1-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-(3-nitro-4-piperazino-phenyl)benzothiophene-2-carboxamide Formula: C19H16Cl2N4O3S MolecularWeight: 451.32634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N4O3S/c20-11-1-3-13-16(9-11)29-18(17(13)21)19(26)23-12-2-4-14(15(10-12)25(27)28)24-7-5-22-6-8-24/h1-4,9-10,22H,5-8H2,(H,23,26)