1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5-(3-ethoxypropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-methyl-ammonium Formula: C17H24N5OS3+ MolecularWeight: 410.60036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOCCCNC1=NN(C(=S)S1)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H23N5OS3/c1-3-23-10-6-9-18-16-20-22(17(24)26-16)12-21(2)11-15-19-13-7-4-5-8-14(13)25-15/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,18,20)/p+1