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

Systemtic Name: 4-methyl-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C29H27N3O4S2 MolecularWeight: 545.67238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O4S2/c1-19-24(17-20-9-4-2-5-10-20)38-28(25(19)26(30)33)32-29(37)31-27(34)21-11-8-14-23(18-21)36-16-15-35-22-12-6-3-7-13-22/h2-14,18H,15-17H2,1H3,(H2,30,33)(H2,31,32,34,37)