4-(1,3-benzothiazol-2-yl)-N-octyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-octyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-octyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-octyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-octylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-octyl-piperazine-1-carbothioamide Formula: C20H30N4S2 MolecularWeight: 390.609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H30N4S2/c1-2-3-4-5-6-9-12-21-19(25)23-13-15-24(16-14-23)20-22-17-10-7-8-11-18(17)26-20/h7-8,10-11H,2-6,9,12-16H2,1H3,(H,21,25)