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

Systemtic Name: 2-[(4-methoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-methoxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-methoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-(p-anisoylthiocarbamoylamino)thiophene-3-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S2/c1-13-17(12-14-6-4-3-5-7-14)30-21(18(13)19(23)26)25-22(29)24-20(27)15-8-10-16(28-2)11-9-15/h3-11H,12H2,1-2H3,(H2,23,26)(H2,24,25,27,29)