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

Systemtic Name: 4-(2,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Openeye Name: 4-(2,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide CAS Name: 4-(2,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(2,4-dimethylphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O2S2/c1-13-3-6-17(14(2)11-13)23-7-9-24(10-8-23)20(28)22-19-21-16-5-4-15(25(26)27)12-18(16)29-19/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,28)