2-(naphthalen-1-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-(naphthalen-1-ylcarbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-(naphthalene-1-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[1-naphthalenyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-(naphthalene-1-carbonylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-(1-naphthoylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O2S2/c23-19(26)18-16-10-2-1-3-12-17(16)29-21(18)25-22(28)24-20(27)15-11-6-8-13-7-4-5-9-14(13)15/h4-9,11H,1-3,10,12H2,(H2,23,26)(H2,24,25,27,28)