N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide CAS Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3S)-1,1-diketothiolan-3-yl]acetamide Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCC(CC1)N([C@H]2CCS(=O)(=O)C2)C(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H30N2O3S/c24-21(15-22-12-10-17-6-4-5-7-18(17)14-22)23(19-8-2-1-3-9-19)20-11-13-27(25,26)16-20/h4-7,19-20H,1-3,8-16H2/t20-/m0/s1