3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-piperidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-piperidino-benzamide Formula: C20H18N6O5S2 MolecularWeight: 486.52412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5S2/c27-18(12-4-7-15(16(10-12)26(30)31)24-8-2-1-3-9-24)22-19(32)23-20-21-14-6-5-13(25(28)29)11-17(14)33-20/h4-7,10-11H,1-3,8-9H2,(H2,21,22,23,27,32)