2-(hexanoylcarbamothioylamino)-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-(hexanoylcarbamothioylamino)-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-(hexanoylcarbamothioylamino)-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-2-[[(1-oxohexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-(hexanoylcarbamothioylamino)-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-(caproylthiocarbamoylamino)-4-methyl-thiophene-3-carboxamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C(=C(S1)CC2=CC=CC=C2)C)C(=O)N

InChI

InChI=1S/C20H25N3O2S2/c1-3-4-6-11-16(24)22-20(26)23-19-17(18(21)25)13(2)15(27-19)12-14-9-7-5-8-10-14/h5,7-10H,3-4,6,11-12H2,1-2H3,(H2,21,25)(H2,22,23,24,26)