2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]-4-piperidyl]-N-(5-nitrothiazol-2-yl)thiazole-4-carboxamide CAS Name: 2-[1-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-piperidinyl]-N-(5-nitro-2-thiazolyl)-4-thiazolecarboxamide IUPAC Name: 2-[1-[(4-dimethylaminophenyl)carbamothioyl]piperidin-4-yl]-N-(5-nitro-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[(4-dimethylaminophenyl)thiocarbamoyl]-4-piperidyl]-N-(5-nitrothiazol-2-yl)thiazole-4-carboxamide Formula: C21H23N7O3S3 MolecularWeight: 517.64742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C3=NC(=CS3)C(=O)NC4=NC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O3S3/c1-26(2)15-5-3-14(4-6-15)23-21(32)27-9-7-13(8-10-27)19-24-16(12-33-19)18(29)25-20-22-11-17(34-20)28(30)31/h3-6,11-13H,7-10H2,1-2H3,(H,23,32)(H,22,25,29)