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

Systemtic Name: 3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(4-phenylthiazol-2-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(4-phenylthiazol-2-yl)thiocarbamoyl]-4-piperidino-benzamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S2/c28-20(16-9-10-18(19(13-16)27(29)30)26-11-5-2-6-12-26)24-21(31)25-22-23-17(14-32-22)15-7-3-1-4-8-15/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H2,23,24,25,28,31)