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

Systemtic Name: 3-azanyl-4-[2-[[5-(dimethylaminomethyl)-4-methyl-thiophen-2-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-4-methyl-2-thienyl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-4-methyl-2-thiophenyl]methylthio]ethylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-4-methylthiophen-2-yl]methylsulfanyl]ethylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[2-[[5-(dimethylaminomethyl)-4-methyl-2-thienyl]methylthio]ethylamino]cyclobut-3-ene-1,2-quinone Formula: C15H21N3O2S2 MolecularWeight: 339.47614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S2/c1-9-6-10(22-11(9)7-18(2)3)8-21-5-4-17-13-12(16)14(19)15(13)20/h6,17H,4-5,7-8,16H2,1-3H3