N-[5-azanyl-1-oxidanylidene-1-(1,3-thiazolidin-2-yl)pentan-2-yl]isoquinoline-3-carboxamide

Systemtic Name: N-[5-azanyl-1-oxidanylidene-1-(1,3-thiazolidin-2-yl)pentan-2-yl]isoquinoline-3-carboxamide Openeye Name: N-[4-amino-1-(thiazolidine-2-carbonyl)butyl]isoquinoline-3-carboxamide CAS Name: N-[5-amino-1-oxo-1-(2-thiazolidinyl)pentan-2-yl]-3-isoquinolinecarboxamide IUPAC Name: N-[5-amino-1-oxo-1-(1,3-thiazolidin-2-yl)pentan-2-yl]isoquinoline-3-carboxamide Traditional Name: N-[4-amino-1-(thiazolidine-2-carbonyl)butyl]isoquinoline-3-carboxamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(N1)C(=O)C(CCCN)NC(=O)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

C1CSC(N1)C(=O)C(CCCN)NC(=O)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C18H22N4O2S/c19-7-3-6-14(16(23)18-20-8-9-25-18)22-17(24)15-10-12-4-1-2-5-13(12)11-21-15/h1-2,4-5,10-11,14,18,20H,3,6-9,19H2,(H,22,24)