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

Systemtic Name: N-[3-[(1-azanylisoquinolin-7-yl)amino]-2-oxidanyl-3-oxidanylidene-1-phenyl-propyl]-5-tert-butyl-thiophene-2-carboxamide Openeye Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-oxo-1-phenyl-propyl]-5-tert-butyl-thiophene-2-carboxamide CAS Name: N-[3-[(1-amino-7-isoquinolinyl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-tert-butyl-2-thiophenecarboxamide IUPAC Name: N-[3-[(1-aminoisoquinolin-7-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-tert-butylthiophene-2-carboxamide Traditional Name: N-[3-[(1-amino-7-isoquinolyl)amino]-2-hydroxy-3-keto-1-phenyl-propyl]-5-tert-butyl-thiophene-2-carboxamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(S1)C(=O)NC(C2=CC=CC=C2)C(C(=O)NC3=CC4=C(C=C3)C=CN=C4N)O

Isomeric SMILES

CC(C)(C)C1=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/C27H28N4O3S/c1-27(2,3)21-12-11-20(35-21)25(33)31-22(17-7-5-4-6-8-17)23(32)26(34)30-18-10-9-16-13-14-29-24(28)19(16)15-18/h4-15,22-23,32H,1-3H3,(H2,28,29)(H,30,34)(H,31,33)