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

Systemtic Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C24H25N5O5S2 MolecularWeight: 527.6158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C24H25N5O5S2/c1-33-20-9-7-15(13-21(20)34-2)17-14-36-24(25-17)27-23(35)26-22(30)16-6-8-18(19(12-16)29(31)32)28-10-4-3-5-11-28/h6-9,12-14H,3-5,10-11H2,1-2H3,(H2,25,26,27,30,35)