3-[[2-(1,3-dithian-2-yl)phenyl]-(phenylmethyl)amino]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[2-(1,3-dithian-2-yl)phenyl]-(phenylmethyl)amino]-4-propan-2-yloxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[N-benzyl-2-(1,3-dithian-2-yl)anilino]-4-isopropoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[2-(1,3-dithian-2-yl)-N-(phenylmethyl)anilino]-4-propan-2-yloxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[N-benzyl-2-(1,3-dithian-2-yl)anilino]-4-propan-2-yloxycyclobut-3-ene-1,2-dione Traditional Name: 3-[N-benzyl-2-(1,3-dithian-2-yl)anilino]-4-isopropoxy-cyclobut-3-ene-1,2-quinone Formula: C24H25NO3S2 MolecularWeight: 439.5902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C4SCCCS4

Isomeric SMILES

CC(C)OC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C4SCCCS4

InChI

InChI=1S/C24H25NO3S2/c1-16(2)28-23-20(21(26)22(23)27)25(15-17-9-4-3-5-10-17)19-12-7-6-11-18(19)24-29-13-8-14-30-24/h3-7,9-12,16,24H,8,13-15H2,1-2H3