3-chloranyl-N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-4-(4-ethylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H20Cl2N4O3S MolecularWeight: 479.3795

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O3S/c1-2-25-8-10-26(11-9-25)16-7-6-13(12-15(16)22)24-21(28)20-18(23)14-4-3-5-17(27(29)30)19(14)31-20/h3-7,12H,2,8-11H2,1H3,(H,24,28)