3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-4-phenyl-piperazine-1-carbothioamide Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S2/c1-13-12-22(9-10-23(13)14-5-3-2-4-6-14)19(27)21-18-20-16-8-7-15(24(25)26)11-17(16)28-18/h2-8,11,13H,9-10,12H2,1H3,(H,20,21,27)