N-(4-ethoxyphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-(phenylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(phenylthiocarbamoylamino)-N-p-phenetyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S2/c1-2-29-18-14-12-17(13-15-18)25-22(28)21-19-10-6-7-11-20(19)31-23(21)27-24(30)26-16-8-4-3-5-9-16/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,25,28)(H2,26,27,30)