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

Systemtic Name: 3-azanyl-4-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[[5-(1-piperidylmethyl)-3-thienyl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[[5-(1-piperidinylmethyl)-3-thiophenyl]methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[[5-(piperidin-1-ylmethyl)thiophen-3-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[[5-(piperidinomethyl)-3-thienyl]methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C17H23N3O2S2 MolecularWeight: 365.51342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=C(C(=O)C3=O)N

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CS2)CSCCNC3=C(C(=O)C3=O)N

InChI

InChI=1S/C17H23N3O2S2/c18-14-15(17(22)16(14)21)19-4-7-23-10-12-8-13(24-11-12)9-20-5-2-1-3-6-20/h8,11,19H,1-7,9-10,18H2