[4-[[5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-[[5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)amino]phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)amino]phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)amino]phenyl]methanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC4=NC5CS(=O)(=O)CC5S4

InChI

InChI=1S/C21H21N3O3S2/c25-20(24-10-9-14-3-1-2-4-16(14)11-24)15-5-7-17(8-6-15)22-21-23-18-12-29(26,27)13-19(18)28-21/h1-8,18-19H,9-13H2,(H,22,23)