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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C(C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C(C)C)CC2=CC=CC=C2

InChI

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