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

Systemtic Name: 3-chloranyl-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-p-toluoylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C27H24ClN3O2S MolecularWeight: 490.01636

Click to see the large picture

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=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C27H24ClN3O2S/c1-18-6-8-19(9-7-18)27(33)31-16-14-30(15-17-31)21-12-10-20(11-13-21)29-26(32)25-24(28)22-4-2-3-5-23(22)34-25/h2-13H,14-17H2,1H3,(H,29,32)