1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]-methyl-ammonium Formula: C21H23N4OS2+ MolecularWeight: 411.56352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CCC(=O)NC1=C(C2=C(S1)CCCC2)C#N)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4OS2/c1-25(13-20-23-16-7-3-5-9-18(16)27-20)11-10-19(26)24-21-15(12-22)14-6-2-4-8-17(14)28-21/h3,5,7,9H,2,4,6,8,10-11,13H2,1H3,(H,24,26)/p+1