2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]-1-(4-benzylpiperazin-4-ium-1-yl)ethanone Formula: C20H23N4OS2+ MolecularWeight: 399.55282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=C(S3)C=C(C=C4)N

InChI

InChI=1S/C20H22N4OS2/c21-16-6-7-17-18(12-16)27-20(22-17)26-14-19(25)24-10-8-23(9-11-24)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14,21H2/p+1