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

Systemtic Name: 4-methyl-5-(phenylmethyl)-2-[(4-propan-2-ylphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-isopropylbenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(4-propan-2-ylbenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-(cumoylthiocarbamoylamino)-4-methyl-thiophene-3-carboxamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O2S2/c1-14(2)17-9-11-18(12-10-17)22(29)26-24(30)27-23-20(21(25)28)15(3)19(31-23)13-16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3,(H2,25,28)(H2,26,27,29,30)