5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-1-[8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]octyl]imidazolidin-4-one

Systemtic Name: 5,5-dimethyl-3-(1-oxidanylidene-3H-2-benzofuran-5-yl)-2-sulfanylidene-1-[8-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]octyl]imidazolidin-4-one Openeye Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]octyl]-2-thioxo-imidazolidin-4-one CAS Name: 5,5-dimethyl-3-(1-oxo-3H-isobenzofuran-5-yl)-1-[8-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]octyl]-2-sulfanylidene-4-imidazolidinone IUPAC Name: 5,5-dimethyl-3-(1-oxo-3H-2-benzofuran-5-yl)-2-sulfanylidene-1-[8-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]octyl]imidazolidin-4-one Traditional Name: 3-(1-ketophthalan-5-yl)-5,5-dimethyl-1-[8-[4-[2-(2-thienyl)acetyl]piperazino]octyl]-2-thioxo-4-imidazolidinone Formula: C31H40N4O4S2 MolecularWeight: 596.8037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=O)CC3=CC=CS3)C4=CC5=C(C=C4)C(=O)OC5)C

Isomeric SMILES

CC1(C(=O)N(C(=S)N1CCCCCCCCN2CCN(CC2)C(=O)CC3=CC=CS3)C4=CC5=C(C=C4)C(=O)OC5)C

InChI

InChI=1S/C31H40N4O4S2/c1-31(2)29(38)35(24-11-12-26-23(20-24)22-39-28(26)37)30(40)34(31)14-8-6-4-3-5-7-13-32-15-17-33(18-16-32)27(36)21-25-10-9-19-41-25/h9-12,19-20H,3-8,13-18,21-22H2,1-2H3