3-azanyl-6-(4-azanylpiperidin-1-yl)-4-phenylmethoxy-1-benzothiophene-2-carboxamide

Systemtic Name: 3-azanyl-6-(4-azanylpiperidin-1-yl)-4-phenylmethoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-amino-6-(4-amino-1-piperidyl)-4-benzyloxy-benzothiophene-2-carboxamide CAS Name: 3-amino-6-(4-amino-1-piperidinyl)-4-phenylmethoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-amino-6-(4-aminopiperidin-1-yl)-4-phenylmethoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-amino-6-(4-aminopiperidino)-4-benzoxy-benzothiophene-2-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N)C2=CC(=C3C(=C2)SC(=C3N)C(=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c22-14-6-8-25(9-7-14)15-10-16(27-12-13-4-2-1-3-5-13)18-17(11-15)28-20(19(18)23)21(24)26/h1-5,10-11,14H,6-9,12,22-23H2,(H2,24,26)