3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-(1-isoquinolylmethyl)-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-(1-isoquinolinylmethyl)-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-(1-isoquinolylmethyl)-3-(2-thienyl)propionamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCC1=NC=CC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NCC1=NC=CC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C19H19N3O2S/c1-13(23)22-16(18-7-4-10-25-18)11-19(24)21-12-17-15-6-3-2-5-14(15)8-9-20-17/h2-10,16H,11-12H2,1H3,(H,21,24)(H,22,23)