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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-tert-butylbenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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)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)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O2S2/c1-15-19(14-16-8-6-5-7-9-16)32-23(20(15)21(26)29)28-24(31)27-22(30)17-10-12-18(13-11-17)25(2,3)4/h5-13H,14H2,1-4H3,(H2,26,29)(H2,27,28,30,31)