4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4OS2/c1-26-17-8-6-16(7-9-17)14-22-21(27)25-12-10-24(11-13-25)15-20-23-18-4-2-3-5-19(18)28-20/h2-9H,10-15H2,1H3,(H,22,27)