4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-methylpyrrol-2-yl)carbonyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-methylpyrrol-2-yl)carbonyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(1-methylpyrrole-2-carbonyl)piperazine-2-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)C2=CC=CN2C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)C2=CC=CN2C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N5O2S/c1-21-19(26)16-12-24(13-18-22-14-6-3-4-8-17(14)28-18)10-11-25(16)20(27)15-7-5-9-23(15)2/h3-9,16H,10-13H2,1-2H3,(H,21,26)