N-[(4R)-4-azanyl-5-oxidanylidene-5-(1,3-thiazolidin-3-yl)pentyl]isoquinoline-4-carboxamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCN1C(=O)C(CCCNC(=O)C2=CN=CC3=CC=CC=C32)N

Isomeric SMILES

C1CSCN1C(=O)[C@@H](CCCNC(=O)C2=CN=CC3=CC=CC=C32)N

InChI

InChI=1S/C18H22N4O2S/c19-16(18(24)22-8-9-25-12-22)6-3-7-21-17(23)15-11-20-10-13-4-1-2-5-14(13)15/h1-2,4-5,10-11,16H,3,6-9,12,19H2,(H,21,23)/t16-/m1/s1