N1-(1,3-benzothiazol-2-yl)-N4-methyl-N4-(phenylmethyl)piperazine-1,4-dicarboxamide

Systemtic Name: N1-(1,3-benzothiazol-2-yl)-N4-methyl-N4-(phenylmethyl)piperazine-1,4-dicarboxamide Openeye Name: N1-(1,3-benzothiazol-2-yl)-N4-benzyl-N4-methyl-piperazine-1,4-dicarboxamide CAS Name: N1-(1,3-benzothiazol-2-yl)-N4-methyl-N4-(phenylmethyl)piperazine-1,4-dicarboxamide IUPAC Name: 1-N-(1,3-benzothiazol-2-yl)-4-N-benzyl-4-N-methylpiperazine-1,4-dicarboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N'-benzyl-N'-methyl-piperazine-1,4-dicarboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N5O2S/c1-24(15-16-7-3-2-4-8-16)21(28)26-13-11-25(12-14-26)20(27)23-19-22-17-9-5-6-10-18(17)29-19/h2-10H,11-15H2,1H3,(H,22,23,27)