methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S2/c1-21(2,3)16-12-17(24-27-16)22-20(28)23-18-15(19(25)26-4)11-14(29-18)10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3,(H2,22,23,24,28)