2-(azepan-1-yl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-4-one CAS Name: 2-(1-azepanyl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-thiazolin-4-one Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=O)C(S2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)C2=NC(=O)C(S2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N3O2S/c24-18(23-12-9-15-7-3-4-8-16(15)14-23)13-17-19(25)21-20(26-17)22-10-5-1-2-6-11-22/h3-4,7-8,17H,1-2,5-6,9-14H2