3-methoxy-4-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-methoxy-4-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-methoxy-4-[2-[[5-(1-piperidylmethyl)-3-thienyl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-methoxy-4-[2-[[5-(1-piperidinylmethyl)-3-thiophenyl]methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-methoxy-4-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-methoxy-4-[2-[[5-(piperidinomethyl)-3-thienyl]methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)NCCSCC2=CSC(=C2)CN3CCCCC3

Isomeric SMILES

COC1=C(C(=O)C1=O)NCCSCC2=CSC(=C2)CN3CCCCC3

InChI

InChI=1S/C18H24N2O3S2/c1-23-18-15(16(21)17(18)22)19-5-8-24-11-13-9-14(25-12-13)10-20-6-3-2-4-7-20/h9,12,19H,2-8,10-11H2,1H3