2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(4-hexoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-hexoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(4-hexoxybenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C27H31N3O3S2/c1-3-4-5-9-16-33-21-14-12-20(13-15-21)25(32)29-27(34)30-26-23(24(28)31)18(2)22(35-26)17-19-10-7-6-8-11-19/h6-8,10-15H,3-5,9,16-17H2,1-2H3,(H2,28,31)(H2,29,30,32,34)