methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=C(C=CC(=C2)C(C)(C)C)OC)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S2/c1-15-20(16-10-8-7-9-11-16)21(23(28)30-6)22(32-15)27-24(31)26-18-14-17(25(2,3)4)12-13-19(18)29-5/h7-14H,1-6H3,(H2,26,27,31)