tert-butyl 2-(dimethylamino)-3-phenyl-5-(thiophen-2-ylcarbamoylamino)imidazole-4-carboxylate

Systemtic Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-(thiophen-2-ylcarbamoylamino)imidazole-4-carboxylate Openeye Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-(2-thienylcarbamoylamino)imidazole-4-carboxylate CAS Name: 2-(dimethylamino)-5-[[oxo-(thiophen-2-ylamino)methyl]amino]-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dimethylamino)-3-phenyl-5-(thiophen-2-ylcarbamoylamino)imidazole-4-carboxylate Traditional Name: 2-(dimethylamino)-3-phenyl-5-(2-thienylcarbamoylamino)imidazole-4-carboxylic acid tert-butyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)NC3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)N(C)C)NC(=O)NC3=CC=CS3

InChI

InChI=1S/C21H25N5O3S/c1-21(2,3)29-18(27)16-17(23-19(28)22-15-12-9-13-30-15)24-20(25(4)5)26(16)14-10-7-6-8-11-14/h6-13H,1-5H3,(H2,22,23,28)