1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonyl-2-prop-2-ynyl-guanidine

Systemtic Name: 1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonyl-2-prop-2-ynyl-guanidine Openeye Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-2-prop-2-ynyl-1-(p-tolylsulfonyl)guanidine CAS Name: 1-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-1-(4-methylphenyl)sulfonyl-2-prop-2-ynylguanidine IUPAC Name: 1-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-(4-methylphenyl)sulfonyl-2-prop-2-ynylguanidine Traditional Name: 1-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-2-propargyl-1-tosyl-guanidine Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCSCC2=CC=C(O2)CN(C)C)C(=NCC#C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCSCC2=CC=C(O2)CN(C)C)C(=NCC#C)N

InChI

InChI=1S/C21H28N4O3S2/c1-5-12-23-21(22)25(30(26,27)20-10-6-17(2)7-11-20)13-14-29-16-19-9-8-18(28-19)15-24(3)4/h1,6-11H,12-16H2,2-4H3,(H2,22,23)