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

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-(propanoylcarbamothioylamino)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-(propanoylcarbamothioylamino)thiophene-3-carboxamide CAS Name: 4-methyl-2-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-(propanoylcarbamothioylamino)thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-(propionylthiocarbamoylamino)thiophene-3-carboxamide Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-3-13(21)19-17(23)20-16-14(15(18)22)10(2)12(24-16)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H2,18,22)(H2,19,20,21,23)