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

Systemtic Name: 2-[(3-butoxyphenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-butoxybenzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-butoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-butoxybenzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C25H27N3O3S2/c1-3-4-13-31-19-12-8-11-18(15-19)23(30)27-25(32)28-24-21(22(26)29)16(2)20(33-24)14-17-9-6-5-7-10-17/h5-12,15H,3-4,13-14H2,1-2H3,(H2,26,29)(H2,27,28,30,32)