N-(2-aminophenyl)-6-[1-(4-methylpiperazin-1-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[1-(4-methylpiperazin-1-yl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[2-(benzylamino)-1-(4-methylpiperazin-1-yl)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[1-(4-methyl-1-piperazinyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[2-(benzylamino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-keto-1-(4-methylpiperazino)ethyl]benzothiophene-2-carboxamide Formula: C29H31N5O2S MolecularWeight: 513.65374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2S/c1-33-13-15-34(16-14-33)27(29(36)31-19-20-7-3-2-4-8-20)22-12-11-21-17-26(37-25(21)18-22)28(35)32-24-10-6-5-9-23(24)30/h2-12,17-18,27H,13-16,19,30H2,1H3,(H,31,36)(H,32,35)