N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O2S2/c27-26(28)17-8-9-18-19(15-17)30-20(22-18)23-21(29)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,22,23,29)/b7-4+