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

Systemtic Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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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)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3S2/c1-24(2,3)16-11-12-19(28-4)18(13-16)25-23(30)26-21-17(22(27)29-5)14-20(31-21)15-9-7-6-8-10-15/h6-14H,1-5H3,(H2,25,26,30)