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

Systemtic Name: 3-azanyl-4-[2-[[4-methyl-5-(piperidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[[4-methyl-5-(1-piperidylmethyl)-2-thienyl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[[4-methyl-5-(1-piperidinylmethyl)-2-thiophenyl]methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[[4-methyl-5-(piperidin-1-ylmethyl)thiophen-2-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[[4-methyl-5-(piperidinomethyl)-2-thienyl]methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C18H25N3O2S2 MolecularWeight: 379.54

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CSCCNC2=C(C(=O)C2=O)N)CN3CCCCC3

Isomeric SMILES

CC1=C(SC(=C1)CSCCNC2=C(C(=O)C2=O)N)CN3CCCCC3

InChI

InChI=1S/C18H25N3O2S2/c1-12-9-13(25-14(12)10-21-6-3-2-4-7-21)11-24-8-5-20-16-15(19)17(22)18(16)23/h9,20H,2-8,10-11,19H2,1H3