3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-4-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-4-methyl-benzothiophene-2-carboxamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)C)Cl)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(C4=C(C=CC=C4S3)C)Cl)C

InChI

InChI=1S/C23H26ClN3OS/c1-4-26-10-12-27(13-11-26)18-9-8-17(14-16(18)3)25-23(28)22-21(24)20-15(2)6-5-7-19(20)29-22/h5-9,14H,4,10-13H2,1-3H3,(H,25,28)