1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)-1-butanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)butan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,4,6-trimethyl-2-thioxo-hexahydropyrimidin-1-yl)butan-1-one Formula: C20H29N3OS MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1CCCC(=O)N2CCC3=CC=CC=C3C2)(C)C

Isomeric SMILES

CC1CC(NC(=S)N1CCCC(=O)N2CCC3=CC=CC=C3C2)(C)C

InChI

InChI=1S/C20H29N3OS/c1-15-13-20(2,3)21-19(25)23(15)11-6-9-18(24)22-12-10-16-7-4-5-8-17(16)14-22/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,21,25)