2-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3-methylphenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C19H21N3O3S2/c1-11-5-4-6-12(9-11)25-10-15(23)21-19(26)22-18-16(17(20)24)13-7-2-3-8-14(13)27-18/h4-6,9H,2-3,7-8,10H2,1H3,(H2,20,24)(H2,21,22,23,26)