N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-ethyl-thiophene-2-carboxamide

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-ethyl-thiophene-2-carboxamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-5-ethyl-thiophene-2-carboxamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-ethyl-2-thiophenecarboxamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-ethylthiophene-2-carboxamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-5-ethyl-thiophene-2-carboxamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C=CN=C4N)O

Isomeric SMILES

CCC1=CC=C(S1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C=CN=C4N)O

InChI

InChI=1S/C25H24N4O3S/c1-2-18-10-11-20(33-18)24(31)29-21(16-6-4-3-5-7-16)22(30)25(32)28-17-9-8-15-12-13-27-23(26)19(15)14-17/h3-14,21-22,30H,2H2,1H3,(H2,26,27)(H,28,32)(H,29,31)