3-azanyl-6-(4-azanylpiperidin-1-yl)-4-[2-[(phenylmethyl)amino]ethoxy]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-[2-[(phenylmethyl)amino]ethoxy]-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-[2-(benzylamino)ethoxy]benzothiophene-2-carboxamide CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-[2-[(phenylmethyl)amino]ethoxy]-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-[2-(benzylamino)ethoxy]-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-(4-aminopiperidino)-4-[2-(benzylamino)ethoxy]benzothiophene-2-carboxamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCCNCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCCNCC4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2S/c24-16-6-9-28(10-7-16)17-12-18(20-19(13-17)31-22(21(20)25)23(26)29)30-11-8-27-14-15-4-2-1-3-5-15/h1-5,12-13,16,27H,6-11,14,24-25H2,(H2,26,29)