4-methyl-2-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-(2-naphthalen-2-yloxyethanoylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[2-(2-naphthyloxy)acetyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[2-(2-naphthalenyloxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(2-naphthalen-2-yloxyacetyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[2-(2-naphthoxy)acetyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S2/c1-16-21(13-17-7-3-2-4-8-17)34-25(23(16)24(27)31)29-26(33)28-22(30)15-32-20-12-11-18-9-5-6-10-19(18)14-20/h2-12,14H,13,15H2,1H3,(H2,27,31)(H2,28,29,30,33)