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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-4-(4-isobutyrylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H22Cl2N4O4S MolecularWeight: 521.41618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(=O)N1CCN(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/C23H22Cl2N4O4S/c1-13(2)23(31)28-10-8-27(9-11-28)17-7-6-14(12-16(17)24)26-22(30)21-19(25)15-4-3-5-18(29(32)33)20(15)34-21/h3-7,12-13H,8-11H2,1-2H3,(H,26,30)