3-chloranyl-7-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(3-nitro-4-piperazino-phenyl)benzothiophene-2-carboxamide Formula: C19H16ClN5O5S MolecularWeight: 461.87884

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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(=CC=C4)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O5S/c20-16-12-2-1-3-14(24(27)28)17(12)31-18(16)19(26)22-11-4-5-13(15(10-11)25(29)30)23-8-6-21-7-9-23/h1-5,10,21H,6-9H2,(H,22,26)