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

Systemtic Name: 4-methyl-2-[(4-pentoxyphenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(4-pentoxybenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 2-[(4-amoxybenzoyl)thiocarbamoylamino]-5-benzyl-4-methyl-thiophene-3-carboxamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C26H29N3O3S2/c1-3-4-8-15-32-20-13-11-19(12-14-20)24(31)28-26(33)29-25-22(23(27)30)17(2)21(34-25)16-18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15-16H2,1-2H3,(H2,27,30)(H2,28,29,31,33)