2-azanyl-N-[2-(2-isoquinolin-5-yloxyethanoylamino)butanethioyl]-N-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide

Systemtic Name: 2-azanyl-N-[2-(2-isoquinolin-5-yloxyethanoylamino)butanethioyl]-N-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Openeye Name: 2-amino-N-[2-[[2-(5-isoquinolyloxy)acetyl]amino]butanethioyl]-N-(4-phenylbutanoyl)thiazolidine-4-carboxamide CAS Name: 2-amino-N-[2-[[2-(5-isoquinolinyloxy)-1-oxoethyl]amino]-1-sulfanylidenebutyl]-N-(1-oxo-4-phenylbutyl)-4-thiazolidinecarboxamide IUPAC Name: 2-amino-N-[2-[(2-isoquinolin-5-yloxyacetyl)amino]butanethioyl]-N-(4-phenylbutanoyl)-1,3-thiazolidine-4-carboxamide Traditional Name: 2-amino-N-[2-[[2-(5-isoquinolyloxy)acetyl]amino]butanethioyl]-N-(4-phenylbutanoyl)thiazolidine-4-carboxamide Formula: C29H33N5O4S2 MolecularWeight: 579.73342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=S)N(C(=O)CCCC1=CC=CC=C1)C(=O)C2CSC(N2)N)NC(=O)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CCC(C(=S)N(C(=O)CCCC1=CC=CC=C1)C(=O)C2CSC(N2)N)NC(=O)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C29H33N5O4S2/c1-2-22(32-25(35)17-38-24-12-7-11-20-16-31-15-14-21(20)24)28(39)34(27(37)23-18-40-29(30)33-23)26(36)13-6-10-19-8-4-3-5-9-19/h3-5,7-9,11-12,14-16,22-23,29,33H,2,6,10,13,17-18,30H2,1H3,(H,32,35)