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

Systemtic Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4S2/c1-2-31-15-7-8-16-19(13-15)33-22(23-16)25-21(32)24-20(28)14-6-9-17(18(12-14)27(29)30)26-10-4-3-5-11-26/h6-9,12-13H,2-5,10-11H2,1H3,(H2,23,24,25,28,32)