3-[[3-[(1-phenylethylamino)-thiophen-2-yl-methyl]phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[3-[(1-phenylethylamino)-thiophen-2-yl-methyl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[3-[(1-phenylethylamino)-(2-thienyl)methyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-[3-[(1-phenylethylamino)-thiophen-2-ylmethyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[3-[(1-phenylethylamino)-thiophen-2-ylmethyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[3-[(1-phenylethylamino)-(2-thienyl)methyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(C2=CC(=CC=C2)NC3=CC(=O)C3=O)C4=CC=CS4

Isomeric SMILES

CC(C1=CC=CC=C1)NC(C2=CC(=CC=C2)NC3=CC(=O)C3=O)C4=CC=CS4

InChI

InChI=1S/C23H20N2O2S/c1-15(16-7-3-2-4-8-16)24-22(21-11-6-12-28-21)17-9-5-10-18(13-17)25-19-14-20(26)23(19)27/h2-15,22,24-25H,1H3