N-(2-chloranyl-5-nitro-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O2S/c21-18-9-8-17(25(26)27)15-19(18)22-20(28)24-13-11-23(12-14-24)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,22,28)/b7-4+