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

Systemtic Name: ethyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2,6-diisopropylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2,6-diisopropylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H32N2O2S2 MolecularWeight: 480.68518

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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=C3C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C27H32N2O2S2/c1-6-31-26(30)23-16-20(15-19-11-8-7-9-12-19)33-25(23)29-27(32)28-24-21(17(2)3)13-10-14-22(24)18(4)5/h7-14,16-18H,6,15H2,1-5H3,(H2,28,29,32)