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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[3-chloro-4-(4-o-toluoylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C27H22Cl2N4O4S MolecularWeight: 569.45898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C27H22Cl2N4O4S/c1-16-5-2-3-6-18(16)27(35)32-13-11-31(12-14-32)21-10-9-17(15-20(21)28)30-26(34)25-23(29)19-7-4-8-22(33(36)37)24(19)38-25/h2-10,15H,11-14H2,1H3,(H,30,34)