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

Systemtic Name: 3-chloranyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methyl-1-piperazinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-methylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O3S/c1-23-9-11-24(12-10-23)15-7-3-2-6-14(15)22-20(26)19-17(21)13-5-4-8-16(25(27)28)18(13)29-19/h2-8H,9-12H2,1H3,(H,22,26)