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

Systemtic Name: 2-(butanoylcarbamothioylamino)-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-(butanoylcarbamothioylamino)-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-2-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-(butanoylcarbamothioylamino)-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-(butyrylthiocarbamoylamino)-4-methyl-thiophene-3-carboxamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-3-7-14(22)20-18(24)21-17-15(16(19)23)11(2)13(25-17)10-12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H2,19,23)(H2,20,21,22,24)