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

Systemtic Name: 3-chloranyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-isobutyrylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-14(2)23(30)27-12-10-26(11-13-27)16-8-6-15(7-9-16)25-22(29)21-19(24)17-4-3-5-18(28(31)32)20(17)33-21/h3-9,14H,10-13H2,1-2H3,(H,25,29)