4-azanyl-N-isoquinolin-6-yl-3-methyl-4-thiophen-2-yl-butanamide

Systemtic Name: 4-azanyl-N-isoquinolin-6-yl-3-methyl-4-thiophen-2-yl-butanamide Openeye Name: 4-amino-N-(6-isoquinolyl)-3-methyl-4-(2-thienyl)butanamide CAS Name: 4-amino-N-(6-isoquinolinyl)-3-methyl-4-thiophen-2-ylbutanamide IUPAC Name: 4-amino-N-isoquinolin-6-yl-3-methyl-4-thiophen-2-ylbutanamide Traditional Name: 4-amino-N-(6-isoquinolyl)-3-methyl-4-(2-thienyl)butyramide Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC2=C(C=C1)C=NC=C2)C(C3=CC=CS3)N

Isomeric SMILES

CC(CC(=O)NC1=CC2=C(C=C1)C=NC=C2)C(C3=CC=CS3)N

InChI

InChI=1S/C18H19N3OS/c1-12(18(19)16-3-2-8-23-16)9-17(22)21-15-5-4-14-11-20-7-6-13(14)10-15/h2-8,10-12,18H,9,19H2,1H3,(H,21,22)