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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

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