methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3S2/c1-25(2,3)17-11-12-21(29-4)20(14-17)26-24(31)27-22-19(23(28)30-5)15-18(32-22)13-16-9-7-6-8-10-16/h6-12,14-15H,13H2,1-5H3,(H2,26,27,31)