1,1-bis(oxidanylidene)-2-[4-(quinolin-2-ylmethylamino)butyl]-1,2-benzothiazol-3-one

Systemtic Name: 1,1-bis(oxidanylidene)-2-[4-(quinolin-2-ylmethylamino)butyl]-1,2-benzothiazol-3-one Openeye Name: 1,1-dioxo-2-[4-(2-quinolylmethylamino)butyl]-1,2-benzothiazol-3-one CAS Name: 1,1-dioxo-2-[4-(2-quinolinylmethylamino)butyl]-1,2-benzothiazol-3-one IUPAC Name: 1,1-dioxo-2-[4-(quinolin-2-ylmethylamino)butyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-(2-quinolylmethylamino)butyl]-1,2-benzothiazol-3-one Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H21N3O3S/c25-21-18-8-2-4-10-20(18)28(26,27)24(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)23-17/h1-4,7-12,22H,5-6,13-15H2