3-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C19H23N4OS2+ MolecularWeight: 387.54212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C=C1

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC(=C2NC3=CC=CC=C3S2)C(=O)C=C1

InChI

InChI=1S/C19H22N4OS2/c1-23(2)11-5-10-20-19(25)21-13-8-9-16(24)14(12-13)18-22-15-6-3-4-7-17(15)26-18/h3-4,6-9,12,22H,5,10-11H2,1-2H3,(H2,20,21,25)/p+1