4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-benzyl-piperazin-4-ium-1-carbothioamide Formula: C20H23N4S2+ MolecularWeight: 383.55342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C20H22N4S2/c25-20(21-14-16-6-2-1-3-7-16)24-12-10-23(11-13-24)15-19-22-17-8-4-5-9-18(17)26-19/h1-9H,10-15H2,(H,21,25)/p+1