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

Systemtic Name: methyl 2-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H30N2O2S2 MolecularWeight: 466.6586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O2S2/c1-16(2)20-12-9-13-21(17(3)4)23(20)27-26(31)28-24-22(25(29)30-5)15-19(32-24)14-18-10-7-6-8-11-18/h6-13,15-17H,14H2,1-5H3,(H2,27,28,31)