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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-butyrylpiperazino)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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