4-methyl-2-[(4-methylphenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[(4-methylphenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(4-methylbenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[(4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(4-methylbenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-(p-toluoylthiocarbamoylamino)thiophene-3-carboxamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C22H21N3O2S2/c1-13-8-10-16(11-9-13)20(27)24-22(28)25-21-18(19(23)26)14(2)17(29-21)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H2,23,26)(H2,24,25,27,28)