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

Systemtic Name: 4-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Openeye Name: 4-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide CAS Name: 4-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(2-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbothioamide Formula: C19H19N5O3S2 MolecularWeight: 429.51586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S2/c1-27-16-5-3-2-4-15(16)22-8-10-23(11-9-22)19(28)21-18-20-14-7-6-13(24(25)26)12-17(14)29-18/h2-7,12H,8-11H2,1H3,(H,20,21,28)