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

Systemtic Name: ethyl 2-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C26H30N2O3S2/c1-6-31-24(29)20-16-19(14-17-10-8-7-9-11-17)33-23(20)28-25(32)27-21-15-18(26(2,3)4)12-13-22(21)30-5/h7-13,15-16H,6,14H2,1-5H3,(H2,27,28,32)