2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[[5-[[(3,4-dimethylanilino)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]ethyl-diethylammonium IUPAC Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethyl-diethylazanium Traditional Name: 2-[[5-[(3,4-dimethylphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]thio]ethyl-diethyl-ammonium Formula: C17H26N5OS2+ MolecularWeight: 380.55124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=NN=C(S1)NC(=O)NC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C17H25N5OS2/c1-5-22(6-2)9-10-24-17-21-20-16(25-17)19-15(23)18-14-8-7-12(3)13(4)11-14/h7-8,11H,5-6,9-10H2,1-4H3,(H2,18,19,20,23)/p+1