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

Systemtic Name: 2-(cycloheptylamino)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-4-one Openeye Name: 2-(cycloheptylamino)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]thiazol-4-one CAS Name: 2-(cycloheptylamino)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiazolone IUPAC Name: 2-(cycloheptylamino)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-4-one Traditional Name: 2-(cycloheptylamino)-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-2-thiazolin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=O)C(S2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=O)C(S2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H27N3O2S/c25-19(24-12-11-15-7-5-6-8-16(15)14-24)13-18-20(26)23-21(27-18)22-17-9-3-1-2-4-10-17/h5-8,17-18H,1-4,9-14H2,(H,22,23,26)