N-[2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine

Systemtic Name: N-[2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine Openeye Name: N-[2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine CAS Name: N-[2-[4-[(3-nitrophenyl)methyl]-1-piperazinyl]ethyl]-1,3-benzothiazol-2-amine IUPAC Name: N-[2-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine Traditional Name: 1,3-benzothiazol-2-yl-[2-[4-(3-nitrobenzyl)piperazino]ethyl]amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=NC3=CC=CC=C3S2)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCNC2=NC3=CC=CC=C3S2)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O2S/c26-25(27)17-5-3-4-16(14-17)15-24-12-10-23(11-13-24)9-8-21-20-22-18-6-1-2-7-19(18)28-20/h1-7,14H,8-13,15H2,(H,21,22)