N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-(4-nitrophenyl)piperazine-1-carboxamide Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N5O3S/c25-19(20-13-18-21-16-3-1-2-4-17(16)28-18)23-11-9-22(10-12-23)14-5-7-15(8-6-14)24(26)27/h1-8H,9-13H2,(H,20,25)