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

Systemtic Name: 3-chloranyl-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C27H23ClN4O4S MolecularWeight: 535.01392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H23ClN4O4S/c1-17-5-7-18(8-6-17)27(34)31-15-13-30(14-16-31)20-11-9-19(10-12-20)29-26(33)25-23(28)21-3-2-4-22(32(35)36)24(21)37-25/h2-12H,13-16H2,1H3,(H,29,33)