(phenylmethyl) 4-(2-aminocarbonyl-3-azanyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-aminocarbonyl-3-azanyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-(3-amino-2-carbamoyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate CAS Name: 4-(3-amino-2-carbamoyl-4-thieno[2,3-b]pyridinyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-amino-2-carbamoylthieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-2-carbamoyl-thieno[2,3-b]pyridin-4-yl)piperazine-1-carboxylic acid benzyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C(=C(SC3=NC=C2)C(=O)N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C(=C(SC3=NC=C2)C(=O)N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c21-16-15-14(6-7-23-19(15)29-17(16)18(22)26)24-8-10-25(11-9-24)20(27)28-12-13-4-2-1-3-5-13/h1-7H,8-12,21H2,(H2,22,26)