N-(2-ethoxyphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-(2-ethoxyphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(2-ethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-2-(phenylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-o-phenetyl-2-(phenylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(SC3=C2CCCCC3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-2-30-20-15-10-9-14-19(20)27-23(29)22-18-13-7-4-8-16-21(18)32-24(22)28-25(31)26-17-11-5-3-6-12-17/h3,5-6,9-12,14-15H,2,4,7-8,13,16H2,1H3,(H,27,29)(H2,26,28,31)