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

Systemtic Name: 2-[(5-chloranylnaphthalen-1-yl)carbonylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[[[(5-chloro-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(5-chloro-1-naphthoyl)thiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C22H20ClN3O2S2 MolecularWeight: 457.9961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C22H20ClN3O2S2/c23-16-10-5-7-12-13(16)8-4-9-14(12)20(28)25-22(29)26-21-18(19(24)27)15-6-2-1-3-11-17(15)30-21/h4-5,7-10H,1-3,6,11H2,(H2,24,27)(H2,25,26,28,29)