4,5-dimethyl-2-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[(3-phenethyloxyphenyl)carbonylcarbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[(3-phenethyloxybenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[oxo-(3-phenethyloxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[(3-phenethyloxybenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[(3-phenethyloxybenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H23N3O3S2/c1-14-15(2)31-22(19(14)20(24)27)26-23(30)25-21(28)17-9-6-10-18(13-17)29-12-11-16-7-4-3-5-8-16/h3-10,13H,11-12H2,1-2H3,(H2,24,27)(H2,25,26,28,30)