N-(1,3-benzothiazol-2-yl)-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanoylamino]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[[2-(3-methyl-1-oxo-2-isoquinolyl)acetyl]amino]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[2-(3-methyl-1-oxoisoquinolin-2-yl)acetyl]amino]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[2-(1-keto-3-methyl-2-isoquinolyl)acetyl]amino]acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O3S/c1-13-10-14-6-2-3-7-15(14)20(28)25(13)12-19(27)22-11-18(26)24-21-23-16-8-4-5-9-17(16)29-21/h2-10H,11-12H2,1H3,(H,22,27)(H,23,24,26)