ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,6-diisopropylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,6-diisopropylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C26H30N2O2S2/c1-6-30-25(29)21-15-22(18-11-8-7-9-12-18)32-24(21)28-26(31)27-23-19(16(2)3)13-10-14-20(23)17(4)5/h7-17H,6H2,1-5H3,(H2,27,28,31)