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

Systemtic Name: 3-nitro-N-[(2-oxidanylidenechromen-6-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(2-oxo-1-benzopyran-6-yl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-oxochromen-6-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-ketochromen-6-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O5S/c27-20-9-5-14-12-16(6-8-19(14)31-20)23-22(32)24-21(28)15-4-7-17(18(13-15)26(29)30)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11H2,(H2,23,24,28,32)