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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

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